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/D3-1796be5c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D3-1796be5c/inputs/seq.fa: 1
curr_seq: _UGGUGCUCGAGCACGGGGGGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUCGAGCACGGGGGGU
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/D3-1796be5c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D3-1796be5c/inputs/seq.fa: 1
curr_seq: _UGGUGCUCGAGCACGGGGGGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUCGAGCACGGGGGGU
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/D3-1796be5c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D3-1796be5c/inputs/seq.fa: 1
curr_seq: _UGGUGCUCGAGCACGGGGGGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUCGAGCACGGGGGGU
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/D3-1796be5c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D3-1796be5c/inputs/seq.fa: 1
curr_seq: _UGGUGCUCGAGCACGGGGGGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUCGAGCACGGGGGGU
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/D3-1796be5c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D3-1796be5c/inputs/seq.fa: 1
curr_seq: _UGGUGCUCGAGCACGGGGGGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUCGAGCACGGGGGGU
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/D3-1796be5c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D3-1796be5c/inputs/seq.fa: 1
curr_seq: _UGGUGCUCGAGCACGGGGGGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUCGAGCACGGGGGGU
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/D3-1796be5c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D3-1796be5c/inputs/seq.fa: 1
curr_seq: _UGGUGCUCGAGCACGGGGGGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUCGAGCACGGGGGGU
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/D3-1796be5c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D3-1796be5c/inputs/seq.fa: 1
curr_seq: _UGGUGCUCGAGCACGGGGGGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUCGAGCACGGGGGGU
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/D3-1796be5c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D3-1796be5c/inputs/seq.fa: 1
curr_seq: _UGGUGCUCGAGCACGGGGGGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUCGAGCACGGGGGGU
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/D3-1796be5c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D3-1796be5c/inputs/seq.fa: 1
curr_seq: _UGGUGCUCGAGCACGGGGGGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUCGAGCACGGGGGGU
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: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
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: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
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: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
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: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
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: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
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: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
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: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
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: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
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: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
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: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
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: -146.055044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.055044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.055044 (E_RNA)
where:
Base-Base interactions energy: -82.535
where: short stacking energy: -59.433
Base-Backbone interact. energy: -0.032
local terms energy: -63.487286
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -9.944
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -11.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -163.123413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.123413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.123413 (E_RNA)
where:
Base-Base interactions energy: -101.518
where: short stacking energy: -52.899
Base-Backbone interact. energy: -0.104
local terms energy: -61.501078
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -128.730155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.730155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.730155 (E_RNA)
where:
Base-Base interactions energy: -56.654
where: short stacking energy: -56.654
Base-Backbone interact. energy: -0.186
local terms energy: -71.890127
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -8.389
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -115.976326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.976326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.976326 (E_RNA)
where:
Base-Base interactions energy: -58.531
where: short stacking energy: -47.449
Base-Backbone interact. energy: 0.806
local terms energy: -58.251809
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -6.095
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -122.186121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.186121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.186121 (E_RNA)
where:
Base-Base interactions energy: -56.878
where: short stacking energy: -56.441
Base-Backbone interact. energy: -0.147
local terms energy: -65.160984
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -10.801
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -121.133065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.133065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.133065 (E_RNA)
where:
Base-Base interactions energy: -56.821
where: short stacking energy: -42.929
Base-Backbone interact. energy: -0.477
local terms energy: -63.834765
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -102.624637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.624637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.624637 (E_RNA)
where:
Base-Base interactions energy: -43.398
where: short stacking energy: -43.398
Base-Backbone interact. energy: -0.002
local terms energy: -59.224295
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -9.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -152.372978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.372978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.372978 (E_RNA)
where:
Base-Base interactions energy: -97.424
where: short stacking energy: -51.039
Base-Backbone interact. energy: -0.362
local terms energy: -54.586923
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -10.147
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -95.989916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.989916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.989916 (E_RNA)
where:
Base-Base interactions energy: -46.874
where: short stacking energy: -46.874
Base-Backbone interact. energy: 0.338
local terms energy: -49.454093
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -3.087
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -87.447235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.447235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.447235 (E_RNA)
where:
Base-Base interactions energy: -43.914
where: short stacking energy: -22.517
Base-Backbone interact. energy: -0.098
local terms energy: -43.435826
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -0.945
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: 3
Temperature: 0.900000
Total energy: -188.478281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.478281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.478281 (E_RNA)
where:
Base-Base interactions energy: -121.933
where: short stacking energy: -70.792
Base-Backbone interact. energy: 0.427
local terms energy: -66.972194
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -15.288
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -142.509895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.509895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.509895 (E_RNA)
where:
Base-Base interactions energy: -70.648
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.008
local terms energy: -71.853394
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -11.627
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -193.739412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.739412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.739412 (E_RNA)
where:
Base-Base interactions energy: -122.274
where: short stacking energy: -65.204
Base-Backbone interact. energy: -0.051
local terms energy: -71.414910
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -11.866
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -119.451882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.451882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.451882 (E_RNA)
where:
Base-Base interactions energy: -56.955
where: short stacking energy: -51.688
Base-Backbone interact. energy: -1.088
local terms energy: -61.408856
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -119.737833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.737833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.737833 (E_RNA)
where:
Base-Base interactions energy: -59.354
where: short stacking energy: -47.180
Base-Backbone interact. energy: 0.370
local terms energy: -60.753843
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -8.258
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: 3
Temperature: 1.150000
Total energy: -152.393246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.393246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.393246 (E_RNA)
where:
Base-Base interactions energy: -85.410
where: short stacking energy: -62.659
Base-Backbone interact. energy: -0.167
local terms energy: -66.816655
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -15.378
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -99.925253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.925253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.925253 (E_RNA)
where:
Base-Base interactions energy: -48.930
where: short stacking energy: -33.724
Base-Backbone interact. energy: -0.194
local terms energy: -50.800968
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -10.977
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: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -173.826974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.826974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.826974 (E_RNA)
where:
Base-Base interactions energy: -110.370
where: short stacking energy: -56.459
Base-Backbone interact. energy: -0.072
local terms energy: -63.384678
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -102.970470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.970470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.970470 (E_RNA)
where:
Base-Base interactions energy: -42.233
where: short stacking energy: -33.612
Base-Backbone interact. energy: -0.268
local terms energy: -60.469649
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -87.686339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.686339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.686339 (E_RNA)
where:
Base-Base interactions energy: -41.058
where: short stacking energy: -29.388
Base-Backbone interact. energy: 0.021
local terms energy: -46.649635
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -8.855
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -200.674181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.674181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.674181 (E_RNA)
where:
Base-Base interactions energy: -125.221
where: short stacking energy: -68.575
Base-Backbone interact. energy: -0.210
local terms energy: -75.242867
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -150.855164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.855164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.855164 (E_RNA)
where:
Base-Base interactions energy: -90.932
where: short stacking energy: -57.404
Base-Backbone interact. energy: -0.408
local terms energy: -59.515444
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -12.114
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: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -200.057430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.057430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.057430 (E_RNA)
where:
Base-Base interactions energy: -126.808
where: short stacking energy: -63.246
Base-Backbone interact. energy: -0.010
local terms energy: -73.239299
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -115.671784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.671784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.671784 (E_RNA)
where:
Base-Base interactions energy: -58.955
where: short stacking energy: -37.725
Base-Backbone interact. energy: -0.330
local terms energy: -56.386227
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -153.630846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.630846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.630846 (E_RNA)
where:
Base-Base interactions energy: -80.528
where: short stacking energy: -51.458
Base-Backbone interact. energy: -0.750
local terms energy: -72.352524
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -10.680
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: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -108.533547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.533547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.533547 (E_RNA)
where:
Base-Base interactions energy: -51.562
where: short stacking energy: -51.492
Base-Backbone interact. energy: -0.024
local terms energy: -56.948009
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -175.503288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.503288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.503288 (E_RNA)
where:
Base-Base interactions energy: -117.326
where: short stacking energy: -63.550
Base-Backbone interact. energy: -0.316
local terms energy: -57.860835
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -95.651526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.651526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.651526 (E_RNA)
where:
Base-Base interactions energy: -39.855
where: short stacking energy: -39.855
Base-Backbone interact. energy: -0.111
local terms energy: -55.685836
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -6.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -100.137669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.137669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.137669 (E_RNA)
where:
Base-Base interactions energy: -36.381
where: short stacking energy: -36.381
Base-Backbone interact. energy: -0.119
local terms energy: -63.637679
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -92.478035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.478035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.478035 (E_RNA)
where:
Base-Base interactions energy: -44.815
where: short stacking energy: -42.848
Base-Backbone interact. energy: -0.061
local terms energy: -47.601665
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -8.397
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -195.803265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.803265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.803265 (E_RNA)
where:
Base-Base interactions energy: -122.486
where: short stacking energy: -64.623
Base-Backbone interact. energy: -0.055
local terms energy: -73.261998
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -14.079
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: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -222.915359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.915359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.915359 (E_RNA)
where:
Base-Base interactions energy: -149.355
where: short stacking energy: -75.719
Base-Backbone interact. energy: 0.476
local terms energy: -74.036963
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -149.250279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.250279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.250279 (E_RNA)
where:
Base-Base interactions energy: -90.674
where: short stacking energy: -61.716
Base-Backbone interact. energy: -0.408
local terms energy: -58.168572
where:
bonds (distance) C4'-P energy: -4.252
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -155.132363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.132363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.132363 (E_RNA)
where:
Base-Base interactions energy: -85.816
where: short stacking energy: -59.438
Base-Backbone interact. energy: -0.736
local terms energy: -68.580530
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -13.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -133.660999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.660999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.660999 (E_RNA)
where:
Base-Base interactions energy: -66.379
where: short stacking energy: -46.532
Base-Backbone interact. energy: -0.330
local terms energy: -66.952439
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -182.997279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.997279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.997279 (E_RNA)
where:
Base-Base interactions energy: -117.612
where: short stacking energy: -62.327
Base-Backbone interact. energy: -0.020
local terms energy: -65.365648
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -104.799685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.799685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.799685 (E_RNA)
where:
Base-Base interactions energy: -55.195
where: short stacking energy: -40.195
Base-Backbone interact. energy: -0.090
local terms energy: -49.514577
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -10.104
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -95.365984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.365984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.365984 (E_RNA)
where:
Base-Base interactions energy: -41.685
where: short stacking energy: -35.919
Base-Backbone interact. energy: -0.010
local terms energy: -53.670580
where:
bonds (distance) C4'-P energy: -6.538
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -88.096932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.096932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.096932 (E_RNA)
where:
Base-Base interactions energy: -31.703
where: short stacking energy: -31.803
Base-Backbone interact. energy: 0.094
local terms energy: -56.488384
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -88.993791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.993791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.993791 (E_RNA)
where:
Base-Base interactions energy: -43.153
where: short stacking energy: -31.428
Base-Backbone interact. energy: 0.373
local terms energy: -46.214674
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: 1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -233.529300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.529300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.529300 (E_RNA)
where:
Base-Base interactions energy: -157.177
where: short stacking energy: -77.509
Base-Backbone interact. energy: -0.421
local terms energy: -75.930754
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -191.554795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.554795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.554795 (E_RNA)
where:
Base-Base interactions energy: -126.147
where: short stacking energy: -65.262
Base-Backbone interact. energy: -0.370
local terms energy: -65.037262
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -7.969
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: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -160.118983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.118983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.118983 (E_RNA)
where:
Base-Base interactions energy: -101.840
where: short stacking energy: -44.414
Base-Backbone interact. energy: -0.204
local terms energy: -58.074914
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -9.639
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: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -147.932942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.932942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.932942 (E_RNA)
where:
Base-Base interactions energy: -89.613
where: short stacking energy: -51.988
Base-Backbone interact. energy: 0.345
local terms energy: -58.665341
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -3.206
tors. eta vs tors. theta energy: -8.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -194.538726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.538726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.538726 (E_RNA)
where:
Base-Base interactions energy: -128.421
where: short stacking energy: -57.814
Base-Backbone interact. energy: 0.114
local terms energy: -66.231844
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -16.467
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: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -97.808293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.808293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.808293 (E_RNA)
where:
Base-Base interactions energy: -43.789
where: short stacking energy: -32.331
Base-Backbone interact. energy: -0.385
local terms energy: -53.633559
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -8.699
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -105.743479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.743479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.743479 (E_RNA)
where:
Base-Base interactions energy: -62.397
where: short stacking energy: -45.610
Base-Backbone interact. energy: 0.675
local terms energy: -44.022204
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -3.676
tors. eta vs tors. theta energy: 0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -101.120147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.120147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.120147 (E_RNA)
where:
Base-Base interactions energy: -53.240
where: short stacking energy: -53.085
Base-Backbone interact. energy: -0.083
local terms energy: -47.796685
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -8.890
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -96.772129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.772129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.772129 (E_RNA)
where:
Base-Base interactions energy: -40.167
where: short stacking energy: -40.167
Base-Backbone interact. energy: -0.002
local terms energy: -56.602793
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -9.831
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: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -95.745915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.745915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.745915 (E_RNA)
where:
Base-Base interactions energy: -46.067
where: short stacking energy: -36.121
Base-Backbone interact. energy: -0.010
local terms energy: -49.669505
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -4.725
tors. eta vs tors. theta energy: -7.963
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: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -236.280638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.280638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.280638 (E_RNA)
where:
Base-Base interactions energy: -155.923
where: short stacking energy: -79.516
Base-Backbone interact. energy: -0.091
local terms energy: -80.267228
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -11.156
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: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -197.595635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.595635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.595635 (E_RNA)
where:
Base-Base interactions energy: -131.164
where: short stacking energy: -68.166
Base-Backbone interact. energy: -0.167
local terms energy: -66.264416
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -14.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -194.255558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.255558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.255558 (E_RNA)
where:
Base-Base interactions energy: -129.472
where: short stacking energy: -66.415
Base-Backbone interact. energy: -0.033
local terms energy: -64.750728
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -13.499
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: 4, replica: 8
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -201.557981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.557981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.557981 (E_RNA)
where:
Base-Base interactions energy: -139.532
where: short stacking energy: -72.328
Base-Backbone interact. energy: -0.065
local terms energy: -61.961706
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -159.504444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.504444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.504444 (E_RNA)
where:
Base-Base interactions energy: -96.411
where: short stacking energy: -69.378
Base-Backbone interact. energy: -0.001
local terms energy: -63.091923
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -115.870098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.870098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.870098 (E_RNA)
where:
Base-Base interactions energy: -57.957
where: short stacking energy: -43.901
Base-Backbone interact. energy: 0.521
local terms energy: -58.433725
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -5.336
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: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -109.473106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.473106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.473106 (E_RNA)
where:
Base-Base interactions energy: -52.310
where: short stacking energy: -46.530
Base-Backbone interact. energy: -0.134
local terms energy: -57.029252
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -112.008586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.008586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.008586 (E_RNA)
where:
Base-Base interactions energy: -62.693
where: short stacking energy: -40.044
Base-Backbone interact. energy: -0.053
local terms energy: -49.262016
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -4.514
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -81.174226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.174226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.174226 (E_RNA)
where:
Base-Base interactions energy: -33.946
where: short stacking energy: -33.603
Base-Backbone interact. energy: -0.410
local terms energy: -46.817766
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -88.710886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.710886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.710886 (E_RNA)
where:
Base-Base interactions energy: -43.885
where: short stacking energy: -35.410
Base-Backbone interact. energy: -0.010
local terms energy: -44.815605
where:
bonds (distance) C4'-P energy: -7.740
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -3.538
tors. eta vs tors. theta energy: -8.331
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: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -231.391066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.391066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.391066 (E_RNA)
where:
Base-Base interactions energy: -152.697
where: short stacking energy: -66.703
Base-Backbone interact. energy: -0.509
local terms energy: -78.184463
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -10.716
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: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -195.589022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.589022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.589022 (E_RNA)
where:
Base-Base interactions energy: -126.958
where: short stacking energy: -75.636
Base-Backbone interact. energy: -0.133
local terms energy: -68.497864
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -7.750
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: 8
Temperature: 1.000000
Total energy: -209.665951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.665951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.665951 (E_RNA)
where:
Base-Base interactions energy: -138.944
where: short stacking energy: -73.634
Base-Backbone interact. energy: -0.000
local terms energy: -70.721333
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -197.165031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.165031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.165031 (E_RNA)
where:
Base-Base interactions energy: -129.458
where: short stacking energy: -70.487
Base-Backbone interact. energy: -0.165
local terms energy: -67.542302
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -13.449
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: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -144.804731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.804731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.804731 (E_RNA)
where:
Base-Base interactions energy: -80.967
where: short stacking energy: -48.497
Base-Backbone interact. energy: -0.972
local terms energy: -62.865250
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -118.687671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.687671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.687671 (E_RNA)
where:
Base-Base interactions energy: -59.362
where: short stacking energy: -38.508
Base-Backbone interact. energy: -1.608
local terms energy: -57.717920
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -4.198
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: 5
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -136.395774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.395774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.395774 (E_RNA)
where:
Base-Base interactions energy: -73.480
where: short stacking energy: -52.745
Base-Backbone interact. energy: -0.003
local terms energy: -62.912440
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -120.737155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.737155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.737155 (E_RNA)
where:
Base-Base interactions energy: -64.209
where: short stacking energy: -50.333
Base-Backbone interact. energy: -0.117
local terms energy: -56.410662
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -8.303
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -13.258
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: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -92.407331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.407331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.407331 (E_RNA)
where:
Base-Base interactions energy: -42.742
where: short stacking energy: -41.198
Base-Backbone interact. energy: -0.123
local terms energy: -49.541915
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -3.031
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -90.926331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.926331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.926331 (E_RNA)
where:
Base-Base interactions energy: -30.739
where: short stacking energy: -30.739
Base-Backbone interact. energy: -0.029
local terms energy: -60.159120
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -234.685589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.685589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.685589 (E_RNA)
where:
Base-Base interactions energy: -160.113
where: short stacking energy: -68.749
Base-Backbone interact. energy: -0.517
local terms energy: -74.056128
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -213.018810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.018810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.018810 (E_RNA)
where:
Base-Base interactions energy: -143.221
where: short stacking energy: -69.707
Base-Backbone interact. energy: -0.355
local terms energy: -69.442246
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -197.038854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.038854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.038854 (E_RNA)
where:
Base-Base interactions energy: -128.482
where: short stacking energy: -73.068
Base-Backbone interact. energy: -0.039
local terms energy: -68.518002
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -197.001944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.001944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.001944 (E_RNA)
where:
Base-Base interactions energy: -126.772
where: short stacking energy: -65.869
Base-Backbone interact. energy: -1.742
local terms energy: -68.488062
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -133.729444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.729444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.729444 (E_RNA)
where:
Base-Base interactions energy: -76.670
where: short stacking energy: -45.531
Base-Backbone interact. energy: -1.147
local terms energy: -55.912215
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -6.311
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: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -132.143454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.143454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.143454 (E_RNA)
where:
Base-Base interactions energy: -75.499
where: short stacking energy: -50.301
Base-Backbone interact. energy: 1.313
local terms energy: -57.957527
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -163.337260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.337260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.337260 (E_RNA)
where:
Base-Base interactions energy: -100.058
where: short stacking energy: -60.316
Base-Backbone interact. energy: -0.101
local terms energy: -63.178667
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -6.678
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: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -113.538767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.538767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.538767 (E_RNA)
where:
Base-Base interactions energy: -68.486
where: short stacking energy: -38.758
Base-Backbone interact. energy: -0.032
local terms energy: -45.020907
where:
bonds (distance) C4'-P energy: -7.387
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -8.884
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: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -91.925901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.925901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.925901 (E_RNA)
where:
Base-Base interactions energy: -43.977
where: short stacking energy: -43.977
Base-Backbone interact. energy: 0.038
local terms energy: -47.986163
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -5.803
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -6.469
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: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -83.346012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.346012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.346012 (E_RNA)
where:
Base-Base interactions energy: -43.483
where: short stacking energy: -28.934
Base-Backbone interact. energy: 5.848
local terms energy: -45.711188
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: 0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -228.782123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.782123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.782123 (E_RNA)
where:
Base-Base interactions energy: -152.991
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.392
local terms energy: -75.399562
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -13.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -230.848380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.848380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.848380 (E_RNA)
where:
Base-Base interactions energy: -156.864
where: short stacking energy: -76.340
Base-Backbone interact. energy: -1.077
local terms energy: -72.906598
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -13.838
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: 3, replica: 7
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -207.188368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.188368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.188368 (E_RNA)
where:
Base-Base interactions energy: -142.275
where: short stacking energy: -64.703
Base-Backbone interact. energy: -0.786
local terms energy: -64.127421
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -8.901
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: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -212.728855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.728855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.728855 (E_RNA)
where:
Base-Base interactions energy: -143.285
where: short stacking energy: -75.018
Base-Backbone interact. energy: -0.076
local terms energy: -69.367704
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -184.115974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.115974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.115974 (E_RNA)
where:
Base-Base interactions energy: -112.585
where: short stacking energy: -58.460
Base-Backbone interact. energy: -0.001
local terms energy: -71.530002
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -170.289136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.289136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.289136 (E_RNA)
where:
Base-Base interactions energy: -103.978
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.356
local terms energy: -65.954887
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -157.101126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.101126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.101126 (E_RNA)
where:
Base-Base interactions energy: -91.069
where: short stacking energy: -54.017
Base-Backbone interact. energy: -0.262
local terms energy: -65.770069
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -8.349
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: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -88.477644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.477644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.477644 (E_RNA)
where:
Base-Base interactions energy: -34.632
where: short stacking energy: -29.978
Base-Backbone interact. energy: -0.075
local terms energy: -53.770714
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -93.183429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.183429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.183429 (E_RNA)
where:
Base-Base interactions energy: -48.276
where: short stacking energy: -36.487
Base-Backbone interact. energy: -0.410
local terms energy: -44.497864
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -3.386
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -82.613158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.613158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.613158 (E_RNA)
where:
Base-Base interactions energy: -35.195
where: short stacking energy: -35.195
Base-Backbone interact. energy: -0.247
local terms energy: -47.170913
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -2.778
tors. eta vs tors. theta energy: -5.987
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: 8
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -223.341805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.341805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.341805 (E_RNA)
where:
Base-Base interactions energy: -149.633
where: short stacking energy: -73.803
Base-Backbone interact. energy: -0.061
local terms energy: -73.647830
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -21.718
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: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -234.677321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.677321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.677321 (E_RNA)
where:
Base-Base interactions energy: -160.164
where: short stacking energy: -85.858
Base-Backbone interact. energy: 0.241
local terms energy: -74.755157
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -200.851873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.851873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.851873 (E_RNA)
where:
Base-Base interactions energy: -127.617
where: short stacking energy: -55.314
Base-Backbone interact. energy: -0.824
local terms energy: -72.410547
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -12.536
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: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -218.097850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.097850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.097850 (E_RNA)
where:
Base-Base interactions energy: -144.096
where: short stacking energy: -69.014
Base-Backbone interact. energy: -0.034
local terms energy: -73.968506
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -22.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -184.171104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.171104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.171104 (E_RNA)
where:
Base-Base interactions energy: -118.852
where: short stacking energy: -64.316
Base-Backbone interact. energy: -0.007
local terms energy: -65.312351
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -10.414
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: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -161.191611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.191611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.191611 (E_RNA)
where:
Base-Base interactions energy: -103.960
where: short stacking energy: -47.614
Base-Backbone interact. energy: 0.305
local terms energy: -57.536460
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -7.505
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: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -186.600141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.600141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.600141 (E_RNA)
where:
Base-Base interactions energy: -126.887
where: short stacking energy: -58.304
Base-Backbone interact. energy: -0.262
local terms energy: -59.451588
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -87.399605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.399605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.399605 (E_RNA)
where:
Base-Base interactions energy: -36.486
where: short stacking energy: -27.899
Base-Backbone interact. energy: -0.188
local terms energy: -50.725586
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -6.372
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: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -81.587669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.587669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.587669 (E_RNA)
where:
Base-Base interactions energy: -27.388
where: short stacking energy: -27.388
Base-Backbone interact. energy: -0.054
local terms energy: -54.145753
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -78.989962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.989962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.989962 (E_RNA)
where:
Base-Base interactions energy: -33.934
where: short stacking energy: -29.317
Base-Backbone interact. energy: 0.079
local terms energy: -45.134135
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -236.591192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.591192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.591192 (E_RNA)
where:
Base-Base interactions energy: -157.119
where: short stacking energy: -77.720
Base-Backbone interact. energy: -0.289
local terms energy: -79.183642
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -228.234839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.234839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.234839 (E_RNA)
where:
Base-Base interactions energy: -151.032
where: short stacking energy: -76.648
Base-Backbone interact. energy: -0.296
local terms energy: -76.906028
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -22.307
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: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -213.961165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.961165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.961165 (E_RNA)
where:
Base-Base interactions energy: -141.198
where: short stacking energy: -68.173
Base-Backbone interact. energy: -0.008
local terms energy: -72.755866
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -198.189321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.189321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.189321 (E_RNA)
where:
Base-Base interactions energy: -129.580
where: short stacking energy: -61.951
Base-Backbone interact. energy: -0.251
local terms energy: -68.358422
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -17.183
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: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -182.198085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.198085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.198085 (E_RNA)
where:
Base-Base interactions energy: -119.960
where: short stacking energy: -58.516
Base-Backbone interact. energy: -0.002
local terms energy: -62.235859
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -11.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -165.531117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.531117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.531117 (E_RNA)
where:
Base-Base interactions energy: -99.691
where: short stacking energy: -59.579
Base-Backbone interact. energy: -0.049
local terms energy: -65.791392
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -7.194
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: 7, replica: 3
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -187.508154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.508154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.508154 (E_RNA)
where:
Base-Base interactions energy: -127.417
where: short stacking energy: -63.831
Base-Backbone interact. energy: -0.018
local terms energy: -60.073436
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -14.059
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: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -103.919781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.919781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.919781 (E_RNA)
where:
Base-Base interactions energy: -46.161
where: short stacking energy: -43.936
Base-Backbone interact. energy: -0.018
local terms energy: -57.741394
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -83.184709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.184709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.184709 (E_RNA)
where:
Base-Base interactions energy: -37.706
where: short stacking energy: -37.706
Base-Backbone interact. energy: -0.166
local terms energy: -45.313091
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -94.251881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.251881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.251881 (E_RNA)
where:
Base-Base interactions energy: -48.926
where: short stacking energy: -27.626
Base-Backbone interact. energy: -0.470
local terms energy: -44.855724
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -1.665
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: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -234.671183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.671183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.671183 (E_RNA)
where:
Base-Base interactions energy: -155.750
where: short stacking energy: -71.344
Base-Backbone interact. energy: -0.480
local terms energy: -78.440934
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -233.728001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.728001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.728001 (E_RNA)
where:
Base-Base interactions energy: -156.099
where: short stacking energy: -82.576
Base-Backbone interact. energy: -0.438
local terms energy: -77.190745
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -22.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -208.968313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.968313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.968313 (E_RNA)
where:
Base-Base interactions energy: -139.645
where: short stacking energy: -65.443
Base-Backbone interact. energy: -0.977
local terms energy: -68.346417
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -15.879
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: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -191.391564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.391564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.391564 (E_RNA)
where:
Base-Base interactions energy: -123.700
where: short stacking energy: -66.897
Base-Backbone interact. energy: -0.416
local terms energy: -67.276144
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -12.127
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: 13
Temperature: 1.100000
Total energy: -180.255961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.255961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.255961 (E_RNA)
where:
Base-Base interactions energy: -116.549
where: short stacking energy: -60.136
Base-Backbone interact. energy: -0.006
local terms energy: -63.701639
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -13.989
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: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -187.348100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.348100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.348100 (E_RNA)
where:
Base-Base interactions energy: -115.357
where: short stacking energy: -59.705
Base-Backbone interact. energy: -0.108
local terms energy: -71.882729
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -12.820
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: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -158.366117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.366117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.366117 (E_RNA)
where:
Base-Base interactions energy: -96.654
where: short stacking energy: -55.254
Base-Backbone interact. energy: -0.217
local terms energy: -61.494526
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -13.798
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: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -102.624863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.624863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.624863 (E_RNA)
where:
Base-Base interactions energy: -57.585
where: short stacking energy: -40.837
Base-Backbone interact. energy: -0.254
local terms energy: -44.786069
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -101.747746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.747746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.747746 (E_RNA)
where:
Base-Base interactions energy: -44.184
where: short stacking energy: -44.184
Base-Backbone interact. energy: -0.015
local terms energy: -57.548864
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -10.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -74.168209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.168209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.168209 (E_RNA)
where:
Base-Base interactions energy: -29.178
where: short stacking energy: -29.178
Base-Backbone interact. energy: -0.198
local terms energy: -44.792913
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -230.556945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.556945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.556945 (E_RNA)
where:
Base-Base interactions energy: -151.852
where: short stacking energy: -78.555
Base-Backbone interact. energy: -0.501
local terms energy: -78.204904
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -20.960
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: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -236.385200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.385200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.385200 (E_RNA)
where:
Base-Base interactions energy: -155.866
where: short stacking energy: -79.647
Base-Backbone interact. energy: -0.004
local terms energy: -80.515002
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -21.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -203.219181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.219181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.219181 (E_RNA)
where:
Base-Base interactions energy: -130.529
where: short stacking energy: -72.641
Base-Backbone interact. energy: -0.117
local terms energy: -72.573547
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -208.040116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.040116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.040116 (E_RNA)
where:
Base-Base interactions energy: -132.373
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.470
local terms energy: -75.197797
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -201.125438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.125438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.125438 (E_RNA)
where:
Base-Base interactions energy: -127.902
where: short stacking energy: -68.162
Base-Backbone interact. energy: -0.045
local terms energy: -73.177992
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -181.522662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.522662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.522662 (E_RNA)
where:
Base-Base interactions energy: -113.423
where: short stacking energy: -60.739
Base-Backbone interact. energy: -0.123
local terms energy: -67.977155
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -16.086
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: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -117.169169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.169169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.169169 (E_RNA)
where:
Base-Base interactions energy: -52.852
where: short stacking energy: -52.852
Base-Backbone interact. energy: -0.023
local terms energy: -64.294211
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -12.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -149.337253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.337253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.337253 (E_RNA)
where:
Base-Base interactions energy: -90.589
where: short stacking energy: -47.905
Base-Backbone interact. energy: -1.160
local terms energy: -57.589118
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -10.938
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -89.810540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.810540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.810540 (E_RNA)
where:
Base-Base interactions energy: -42.364
where: short stacking energy: -39.356
Base-Backbone interact. energy: -0.011
local terms energy: -47.435338
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -77.371924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.371924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.371924 (E_RNA)
where:
Base-Base interactions energy: -28.394
where: short stacking energy: -28.394
Base-Backbone interact. energy: -0.190
local terms energy: -48.787864
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -0.569
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: 8
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -228.882564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.882564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.882564 (E_RNA)
where:
Base-Base interactions energy: -148.660
where: short stacking energy: -76.822
Base-Backbone interact. energy: -0.004
local terms energy: -80.218024
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -233.706157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.706157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.706157 (E_RNA)
where:
Base-Base interactions energy: -153.489
where: short stacking energy: -80.126
Base-Backbone interact. energy: -0.240
local terms energy: -79.977073
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -12.267
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: 3, replica: 7
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -204.942436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.942436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.942436 (E_RNA)
where:
Base-Base interactions energy: -142.546
where: short stacking energy: -75.633
Base-Backbone interact. energy: -0.592
local terms energy: -61.804197
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -8.749
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -5.780
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: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -217.220893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.220893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.220893 (E_RNA)
where:
Base-Base interactions energy: -137.969
where: short stacking energy: -71.437
Base-Backbone interact. energy: -0.282
local terms energy: -78.970589
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -22.685
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: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -196.292263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.292263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.292263 (E_RNA)
where:
Base-Base interactions energy: -130.651
where: short stacking energy: -65.200
Base-Backbone interact. energy: -0.415
local terms energy: -65.226854
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -15.696
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: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -180.863046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.863046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.863046 (E_RNA)
where:
Base-Base interactions energy: -115.548
where: short stacking energy: -51.100
Base-Backbone interact. energy: -0.469
local terms energy: -64.846943
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -11.126
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: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -131.891300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.891300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.891300 (E_RNA)
where:
Base-Base interactions energy: -71.844
where: short stacking energy: -58.443
Base-Backbone interact. energy: -0.010
local terms energy: -60.037796
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -92.171864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.171864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.171864 (E_RNA)
where:
Base-Base interactions energy: -36.333
where: short stacking energy: -31.952
Base-Backbone interact. energy: -0.754
local terms energy: -55.084564
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -4.521
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: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -98.033208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.033208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.033208 (E_RNA)
where:
Base-Base interactions energy: -45.269
where: short stacking energy: -41.335
Base-Backbone interact. energy: -0.243
local terms energy: -52.521251
where:
bonds (distance) C4'-P energy: -7.651
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -9.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -84.933139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.933139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.933139 (E_RNA)
where:
Base-Base interactions energy: -29.995
where: short stacking energy: -29.995
Base-Backbone interact. energy: -0.055
local terms energy: -54.882853
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -237.329155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.329155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.329155 (E_RNA)
where:
Base-Base interactions energy: -159.972
where: short stacking energy: -79.842
Base-Backbone interact. energy: -0.001
local terms energy: -77.356880
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -11.163
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: 8
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -216.320631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.320631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.320631 (E_RNA)
where:
Base-Base interactions energy: -144.280
where: short stacking energy: -72.908
Base-Backbone interact. energy: -0.304
local terms energy: -71.735887
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -206.286713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.286713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.286713 (E_RNA)
where:
Base-Base interactions energy: -135.736
where: short stacking energy: -67.626
Base-Backbone interact. energy: -0.026
local terms energy: -70.524688
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -16.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -205.493474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.493474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.493474 (E_RNA)
where:
Base-Base interactions energy: -134.409
where: short stacking energy: -61.166
Base-Backbone interact. energy: -0.236
local terms energy: -70.848650
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -17.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -193.451846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.451846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.451846 (E_RNA)
where:
Base-Base interactions energy: -130.410
where: short stacking energy: -61.663
Base-Backbone interact. energy: 0.305
local terms energy: -63.347357
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -213.747105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.747105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.747105 (E_RNA)
where:
Base-Base interactions energy: -146.785
where: short stacking energy: -68.397
Base-Backbone interact. energy: -1.027
local terms energy: -65.935235
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -139.322681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.322681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.322681 (E_RNA)
where:
Base-Base interactions energy: -79.957
where: short stacking energy: -43.007
Base-Backbone interact. energy: 0.622
local terms energy: -59.987864
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -10.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -91.094283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.094283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.094283 (E_RNA)
where:
Base-Base interactions energy: -42.975
where: short stacking energy: -36.336
Base-Backbone interact. energy: -0.110
local terms energy: -48.008559
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -97.586788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.586788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.586788 (E_RNA)
where:
Base-Base interactions energy: -40.387
where: short stacking energy: -36.438
Base-Backbone interact. energy: -0.448
local terms energy: -56.751939
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -89.428455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.428455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.428455 (E_RNA)
where:
Base-Base interactions energy: -41.810
where: short stacking energy: -34.335
Base-Backbone interact. energy: 0.264
local terms energy: -47.881914
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -8.156
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -241.691553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.691553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.691553 (E_RNA)
where:
Base-Base interactions energy: -156.615
where: short stacking energy: -77.267
Base-Backbone interact. energy: -0.000
local terms energy: -85.075898
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -223.542861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.542861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.542861 (E_RNA)
where:
Base-Base interactions energy: -148.760
where: short stacking energy: -67.583
Base-Backbone interact. energy: -0.003
local terms energy: -74.779381
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -219.449180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.449180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.449180 (E_RNA)
where:
Base-Base interactions energy: -145.648
where: short stacking energy: -73.026
Base-Backbone interact. energy: -0.106
local terms energy: -73.695628
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -196.017641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.017641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.017641 (E_RNA)
where:
Base-Base interactions energy: -137.388
where: short stacking energy: -63.810
Base-Backbone interact. energy: 0.401
local terms energy: -59.030775
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -12.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -180.986744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.986744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.986744 (E_RNA)
where:
Base-Base interactions energy: -116.614
where: short stacking energy: -60.130
Base-Backbone interact. energy: -0.517
local terms energy: -63.855475
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -9.832
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: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -210.823050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.823050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.823050 (E_RNA)
where:
Base-Base interactions energy: -142.087
where: short stacking energy: -73.460
Base-Backbone interact. energy: -0.008
local terms energy: -68.727952
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -109.416811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.416811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.416811 (E_RNA)
where:
Base-Base interactions energy: -62.688
where: short stacking energy: -46.968
Base-Backbone interact. energy: -0.036
local terms energy: -46.692189
where:
bonds (distance) C4'-P energy: -6.425
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -91.220875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.220875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.220875 (E_RNA)
where:
Base-Base interactions energy: -35.587
where: short stacking energy: -35.587
Base-Backbone interact. energy: -0.023
local terms energy: -55.610290
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -92.698752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.698752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.698752 (E_RNA)
where:
Base-Base interactions energy: -37.811
where: short stacking energy: -37.811
Base-Backbone interact. energy: -1.073
local terms energy: -53.815372
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -93.756674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.756674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.756674 (E_RNA)
where:
Base-Base interactions energy: -39.276
where: short stacking energy: -37.488
Base-Backbone interact. energy: 1.766
local terms energy: -56.247348
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -2.933
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: 18
Temperature: 0.900000
Total energy: -241.314738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.314738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.314738 (E_RNA)
where:
Base-Base interactions energy: -162.210
where: short stacking energy: -80.957
Base-Backbone interact. energy: 0.096
local terms energy: -79.200735
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -21.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -229.755213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.755213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.755213 (E_RNA)
where:
Base-Base interactions energy: -150.124
where: short stacking energy: -81.514
Base-Backbone interact. energy: -0.044
local terms energy: -79.586749
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -19.769
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: 3, replica: 8
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -229.275759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.275759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.275759 (E_RNA)
where:
Base-Base interactions energy: -149.916
where: short stacking energy: -72.920
Base-Backbone interact. energy: -0.002
local terms energy: -79.357913
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -194.555950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.555950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.555950 (E_RNA)
where:
Base-Base interactions energy: -128.831
where: short stacking energy: -66.868
Base-Backbone interact. energy: -0.142
local terms energy: -65.583003
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -7.808
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: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -202.827200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.827200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.827200 (E_RNA)
where:
Base-Base interactions energy: -134.502
where: short stacking energy: -68.414
Base-Backbone interact. energy: -0.339
local terms energy: -67.986637
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -16.281
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: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -180.947582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.947582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.947582 (E_RNA)
where:
Base-Base interactions energy: -123.002
where: short stacking energy: -55.290
Base-Backbone interact. energy: -0.011
local terms energy: -57.935033
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -10.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -104.511689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.511689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.511689 (E_RNA)
where:
Base-Base interactions energy: -49.343
where: short stacking energy: -37.419
Base-Backbone interact. energy: -0.041
local terms energy: -55.127882
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -101.971236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.971236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.971236 (E_RNA)
where:
Base-Base interactions energy: -47.191
where: short stacking energy: -45.761
Base-Backbone interact. energy: 0.637
local terms energy: -55.416874
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -103.600936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.600936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.600936 (E_RNA)
where:
Base-Base interactions energy: -47.769
where: short stacking energy: -46.575
Base-Backbone interact. energy: 0.042
local terms energy: -55.873772
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: -8.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -86.068775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.068775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.068775 (E_RNA)
where:
Base-Base interactions energy: -44.243
where: short stacking energy: -35.530
Base-Backbone interact. energy: -0.294
local terms energy: -41.532372
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -4.280
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -238.680206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.680206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.680206 (E_RNA)
where:
Base-Base interactions energy: -158.152
where: short stacking energy: -83.017
Base-Backbone interact. energy: -0.215
local terms energy: -80.313352
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -21.884
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: 2, replica: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -219.329196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.329196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.329196 (E_RNA)
where:
Base-Base interactions energy: -144.147
where: short stacking energy: -72.212
Base-Backbone interact. energy: -0.399
local terms energy: -74.783494
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -220.244115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.244115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.244115 (E_RNA)
where:
Base-Base interactions energy: -144.750
where: short stacking energy: -77.788
Base-Backbone interact. energy: -0.659
local terms energy: -74.835183
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -211.831270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.831270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.831270 (E_RNA)
where:
Base-Base interactions energy: -139.027
where: short stacking energy: -68.704
Base-Backbone interact. energy: -0.033
local terms energy: -72.770487
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -184.319678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.319678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.319678 (E_RNA)
where:
Base-Base interactions energy: -119.117
where: short stacking energy: -71.845
Base-Backbone interact. energy: -0.031
local terms energy: -65.171032
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -11.179
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: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -191.052350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.052350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.052350 (E_RNA)
where:
Base-Base interactions energy: -129.983
where: short stacking energy: -55.965
Base-Backbone interact. energy: -0.119
local terms energy: -60.950917
where:
bonds (distance) C4'-P energy: -9.120
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -12.284
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: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -120.368417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.368417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.368417 (E_RNA)
where:
Base-Base interactions energy: -67.095
where: short stacking energy: -41.425
Base-Backbone interact. energy: -0.754
local terms energy: -52.519586
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -9.115
flat angles P-C4'-P energy: -7.920
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: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -99.029119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.029119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.029119 (E_RNA)
where:
Base-Base interactions energy: -37.524
where: short stacking energy: -37.524
Base-Backbone interact. energy: -1.030
local terms energy: -60.474974
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -9.847
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -7.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -95.099815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.099815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.099815 (E_RNA)
where:
Base-Base interactions energy: -48.627
where: short stacking energy: -36.786
Base-Backbone interact. energy: 1.687
local terms energy: -48.159256
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -92.715549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.715549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.715549 (E_RNA)
where:
Base-Base interactions energy: -40.280
where: short stacking energy: -40.280
Base-Backbone interact. energy: -0.002
local terms energy: -52.433630
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -8.702
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -242.820934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.820934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.820934 (E_RNA)
where:
Base-Base interactions energy: -165.076
where: short stacking energy: -88.586
Base-Backbone interact. energy: -0.588
local terms energy: -77.156769
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -12.189
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -24.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -222.542070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.542070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.542070 (E_RNA)
where:
Base-Base interactions energy: -148.455
where: short stacking energy: -70.423
Base-Backbone interact. energy: -0.011
local terms energy: -74.075818
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -211.707836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.707836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.707836 (E_RNA)
where:
Base-Base interactions energy: -149.980
where: short stacking energy: -67.167
Base-Backbone interact. energy: -0.033
local terms energy: -61.695245
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -210.562523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.562523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.562523 (E_RNA)
where:
Base-Base interactions energy: -144.736
where: short stacking energy: -72.541
Base-Backbone interact. energy: -0.001
local terms energy: -65.825487
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -189.125751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.125751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.125751 (E_RNA)
where:
Base-Base interactions energy: -118.290
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.017
local terms energy: -70.818863
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -172.775434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.775434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.775434 (E_RNA)
where:
Base-Base interactions energy: -112.549
where: short stacking energy: -57.587
Base-Backbone interact. energy: 0.034
local terms energy: -60.260668
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -89.904044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.904044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.904044 (E_RNA)
where:
Base-Base interactions energy: -42.382
where: short stacking energy: -42.382
Base-Backbone interact. energy: 2.690
local terms energy: -50.211750
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -108.678701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.678701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.678701 (E_RNA)
where:
Base-Base interactions energy: -46.047
where: short stacking energy: -46.347
Base-Backbone interact. energy: -0.079
local terms energy: -62.552796
where:
bonds (distance) C4'-P energy: -7.374
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -12.132
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: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -95.248316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.248316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.248316 (E_RNA)
where:
Base-Base interactions energy: -43.179
where: short stacking energy: -36.324
Base-Backbone interact. energy: -0.088
local terms energy: -51.981287
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -85.313581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.313581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.313581 (E_RNA)
where:
Base-Base interactions energy: -34.715
where: short stacking energy: -34.715
Base-Backbone interact. energy: -0.072
local terms energy: -50.526587
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -242.757857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.757857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.757857 (E_RNA)
where:
Base-Base interactions energy: -163.517
where: short stacking energy: -83.996
Base-Backbone interact. energy: -0.282
local terms energy: -78.959533
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -23.759
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: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -219.581841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.581841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.581841 (E_RNA)
where:
Base-Base interactions energy: -145.459
where: short stacking energy: -71.550
Base-Backbone interact. energy: -0.159
local terms energy: -73.963295
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -223.623121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.623121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.623121 (E_RNA)
where:
Base-Base interactions energy: -145.838
where: short stacking energy: -81.303
Base-Backbone interact. energy: -0.413
local terms energy: -77.372800
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -22.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -209.732789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.732789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.732789 (E_RNA)
where:
Base-Base interactions energy: -141.270
where: short stacking energy: -72.572
Base-Backbone interact. energy: -0.105
local terms energy: -68.357130
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -18.347
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: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -201.573273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.573273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.573273 (E_RNA)
where:
Base-Base interactions energy: -130.160
where: short stacking energy: -69.328
Base-Backbone interact. energy: -0.612
local terms energy: -70.801872
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -9.038
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: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -186.427502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.427502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.427502 (E_RNA)
where:
Base-Base interactions energy: -120.530
where: short stacking energy: -58.689
Base-Backbone interact. energy: -0.368
local terms energy: -65.529038
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -111.169594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.169594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.169594 (E_RNA)
where:
Base-Base interactions energy: -56.750
where: short stacking energy: -43.279
Base-Backbone interact. energy: -0.191
local terms energy: -54.229488
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -7.348
flat angles P-C4'-P energy: -10.989
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: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -94.564772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.564772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.564772 (E_RNA)
where:
Base-Base interactions energy: -45.517
where: short stacking energy: -44.317
Base-Backbone interact. energy: -0.036
local terms energy: -49.011702
where:
bonds (distance) C4'-P energy: -7.239
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -95.698664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.698664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.698664 (E_RNA)
where:
Base-Base interactions energy: -31.299
where: short stacking energy: -31.299
Base-Backbone interact. energy: -0.105
local terms energy: -64.294850
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -81.914221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.914221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.914221 (E_RNA)
where:
Base-Base interactions energy: -34.320
where: short stacking energy: -34.320
Base-Backbone interact. energy: -0.392
local terms energy: -47.202577
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -6.372
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -237.564193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.564193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.564193 (E_RNA)
where:
Base-Base interactions energy: -159.925
where: short stacking energy: -82.615
Base-Backbone interact. energy: -0.309
local terms energy: -77.329735
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -22.131
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: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -229.524202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.524202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.524202 (E_RNA)
where:
Base-Base interactions energy: -152.241
where: short stacking energy: -82.466
Base-Backbone interact. energy: 0.058
local terms energy: -77.341414
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -21.010
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: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -218.726707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.726707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.726707 (E_RNA)
where:
Base-Base interactions energy: -145.307
where: short stacking energy: -73.110
Base-Backbone interact. energy: -0.003
local terms energy: -73.415827
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -4.312
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: 4, replica: 8
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -192.187412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.187412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.187412 (E_RNA)
where:
Base-Base interactions energy: -122.763
where: short stacking energy: -59.062
Base-Backbone interact. energy: -0.216
local terms energy: -69.209053
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -11.508
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: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -210.656901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.656901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.656901 (E_RNA)
where:
Base-Base interactions energy: -143.003
where: short stacking energy: -73.890
Base-Backbone interact. energy: -0.068
local terms energy: -67.586023
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -12.366
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: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -178.926807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.926807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.926807 (E_RNA)
where:
Base-Base interactions energy: -111.760
where: short stacking energy: -54.390
Base-Backbone interact. energy: 0.007
local terms energy: -67.174150
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -11.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -106.438833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.438833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.438833 (E_RNA)
where:
Base-Base interactions energy: -49.403
where: short stacking energy: -34.299
Base-Backbone interact. energy: 1.063
local terms energy: -58.098706
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -94.728680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.728680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.728680 (E_RNA)
where:
Base-Base interactions energy: -39.773
where: short stacking energy: -39.773
Base-Backbone interact. energy: -0.103
local terms energy: -54.852590
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -87.297892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.297892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.297892 (E_RNA)
where:
Base-Base interactions energy: -34.043
where: short stacking energy: -31.035
Base-Backbone interact. energy: -0.055
local terms energy: -53.200145
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -1.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -81.262515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.262515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.262515 (E_RNA)
where:
Base-Base interactions energy: -39.273
where: short stacking energy: -39.273
Base-Backbone interact. energy: -0.273
local terms energy: -41.716329
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -7.435
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -237.254949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.254949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.254949 (E_RNA)
where:
Base-Base interactions energy: -160.554
where: short stacking energy: -81.406
Base-Backbone interact. energy: -0.140
local terms energy: -76.561265
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -205.916532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.916532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.916532 (E_RNA)
where:
Base-Base interactions energy: -136.924
where: short stacking energy: -72.553
Base-Backbone interact. energy: -0.007
local terms energy: -68.985277
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -220.783940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.783940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.783940 (E_RNA)
where:
Base-Base interactions energy: -145.021
where: short stacking energy: -74.662
Base-Backbone interact. energy: -0.002
local terms energy: -75.761221
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -221.089751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.089751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.089751 (E_RNA)
where:
Base-Base interactions energy: -145.233
where: short stacking energy: -65.402
Base-Backbone interact. energy: -0.044
local terms energy: -75.813271
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -19.031
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: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -178.099828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.099828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.099828 (E_RNA)
where:
Base-Base interactions energy: -112.137
where: short stacking energy: -60.232
Base-Backbone interact. energy: 1.288
local terms energy: -67.250825
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -10.464
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: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -195.591769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.591769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.591769 (E_RNA)
where:
Base-Base interactions energy: -130.798
where: short stacking energy: -72.960
Base-Backbone interact. energy: -0.747
local terms energy: -64.046833
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -16.416
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: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -102.209855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.209855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.209855 (E_RNA)
where:
Base-Base interactions energy: -43.420
where: short stacking energy: -31.499
Base-Backbone interact. energy: -0.127
local terms energy: -58.662655
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -10.234
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: 8, replica: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -100.866917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.866917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.866917 (E_RNA)
where:
Base-Base interactions energy: -51.539
where: short stacking energy: -42.770
Base-Backbone interact. energy: -0.110
local terms energy: -49.218180
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -5.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -102.700828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.700828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.700828 (E_RNA)
where:
Base-Base interactions energy: -38.906
where: short stacking energy: -37.082
Base-Backbone interact. energy: -0.146
local terms energy: -63.649526
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -82.572103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.572103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.572103 (E_RNA)
where:
Base-Base interactions energy: -30.572
where: short stacking energy: -28.884
Base-Backbone interact. energy: -0.399
local terms energy: -51.600180
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -223.335717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.335717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.335717 (E_RNA)
where:
Base-Base interactions energy: -151.303
where: short stacking energy: -71.874
Base-Backbone interact. energy: -0.104
local terms energy: -71.928861
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -10.682
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: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -233.481911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.481911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.481911 (E_RNA)
where:
Base-Base interactions energy: -156.040
where: short stacking energy: -79.092
Base-Backbone interact. energy: -0.001
local terms energy: -77.441118
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -226.566986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.566986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.566986 (E_RNA)
where:
Base-Base interactions energy: -152.956
where: short stacking energy: -83.409
Base-Backbone interact. energy: -0.083
local terms energy: -73.527416
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -21.879
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: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -213.140118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.140118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.140118 (E_RNA)
where:
Base-Base interactions energy: -148.687
where: short stacking energy: -72.645
Base-Backbone interact. energy: -0.004
local terms energy: -64.448902
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -2.813
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: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -203.622936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.622936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.622936 (E_RNA)
where:
Base-Base interactions energy: -130.998
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.924
local terms energy: -71.700744
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -10.527
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -185.890057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.890057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.890057 (E_RNA)
where:
Base-Base interactions energy: -118.930
where: short stacking energy: -59.983
Base-Backbone interact. energy: -0.016
local terms energy: -66.944230
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -16.087
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: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -127.952642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.952642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.952642 (E_RNA)
where:
Base-Base interactions energy: -65.670
where: short stacking energy: -51.014
Base-Backbone interact. energy: -0.017
local terms energy: -62.266061
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -135.947433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.947433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.947433 (E_RNA)
where:
Base-Base interactions energy: -83.237
where: short stacking energy: -37.133
Base-Backbone interact. energy: -1.581
local terms energy: -51.129600
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -106.091108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.091108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.091108 (E_RNA)
where:
Base-Base interactions energy: -51.730
where: short stacking energy: -51.730
Base-Backbone interact. energy: -0.063
local terms energy: -54.298102
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -1.699
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: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -87.025615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.025615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.025615 (E_RNA)
where:
Base-Base interactions energy: -40.748
where: short stacking energy: -26.742
Base-Backbone interact. energy: -0.441
local terms energy: -45.836863
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -1.788
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: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -221.012891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.012891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.012891 (E_RNA)
where:
Base-Base interactions energy: -143.212
where: short stacking energy: -66.582
Base-Backbone interact. energy: -0.076
local terms energy: -77.724772
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -225.722572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.722572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.722572 (E_RNA)
where:
Base-Base interactions energy: -152.348
where: short stacking energy: -70.334
Base-Backbone interact. energy: -0.205
local terms energy: -73.169144
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -224.545929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.545929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.545929 (E_RNA)
where:
Base-Base interactions energy: -146.811
where: short stacking energy: -77.908
Base-Backbone interact. energy: -0.041
local terms energy: -77.693695
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -18.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -225.452667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.452667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.452667 (E_RNA)
where:
Base-Base interactions energy: -150.616
where: short stacking energy: -79.997
Base-Backbone interact. energy: -0.100
local terms energy: -74.735898
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -20.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -200.955286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.955286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.955286 (E_RNA)
where:
Base-Base interactions energy: -136.060
where: short stacking energy: -66.925
Base-Backbone interact. energy: -0.123
local terms energy: -64.772025
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -18.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -184.572020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.572020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.572020 (E_RNA)
where:
Base-Base interactions energy: -118.621
where: short stacking energy: -60.772
Base-Backbone interact. energy: -0.017
local terms energy: -65.933254
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -13.115
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: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -117.749655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.749655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.749655 (E_RNA)
where:
Base-Base interactions energy: -64.278
where: short stacking energy: -44.561
Base-Backbone interact. energy: -0.255
local terms energy: -53.216414
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -91.262620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.262620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.262620 (E_RNA)
where:
Base-Base interactions energy: -39.997
where: short stacking energy: -33.450
Base-Backbone interact. energy: -0.106
local terms energy: -51.159749
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -9.326
flat angles P-C4'-P energy: -9.612
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: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -100.772853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.772853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.772853 (E_RNA)
where:
Base-Base interactions energy: -53.929
where: short stacking energy: -30.865
Base-Backbone interact. energy: -0.464
local terms energy: -46.379731
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: 0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -83.527540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.527540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.527540 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -26.776
Base-Backbone interact. energy: 0.739
local terms energy: -51.540402
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -218.918815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.918815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.918815 (E_RNA)
where:
Base-Base interactions energy: -148.194
where: short stacking energy: -76.199
Base-Backbone interact. energy: -0.036
local terms energy: -70.689599
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -19.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -233.048188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.048188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.048188 (E_RNA)
where:
Base-Base interactions energy: -151.721
where: short stacking energy: -85.693
Base-Backbone interact. energy: -0.604
local terms energy: -80.722734
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -216.749868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.749868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.749868 (E_RNA)
where:
Base-Base interactions energy: -140.562
where: short stacking energy: -72.429
Base-Backbone interact. energy: -0.003
local terms energy: -76.184612
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -20.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -221.944561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.944561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.944561 (E_RNA)
where:
Base-Base interactions energy: -147.058
where: short stacking energy: -76.479
Base-Backbone interact. energy: -0.645
local terms energy: -74.240994
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -195.086634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.086634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.086634 (E_RNA)
where:
Base-Base interactions energy: -125.972
where: short stacking energy: -67.787
Base-Backbone interact. energy: -0.747
local terms energy: -68.367482
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -187.823874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.823874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.823874 (E_RNA)
where:
Base-Base interactions energy: -126.375
where: short stacking energy: -60.289
Base-Backbone interact. energy: -0.867
local terms energy: -60.582383
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -3.633
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: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -105.669183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.669183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.669183 (E_RNA)
where:
Base-Base interactions energy: -48.858
where: short stacking energy: -48.858
Base-Backbone interact. energy: -0.013
local terms energy: -56.798134
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -93.764364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.764364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.764364 (E_RNA)
where:
Base-Base interactions energy: -45.488
where: short stacking energy: -37.634
Base-Backbone interact. energy: -0.042
local terms energy: -48.234393
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -103.795367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.795367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.795367 (E_RNA)
where:
Base-Base interactions energy: -53.432
where: short stacking energy: -33.748
Base-Backbone interact. energy: 0.200
local terms energy: -50.564044
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -87.304240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.304240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.304240 (E_RNA)
where:
Base-Base interactions energy: -31.905
where: short stacking energy: -31.905
Base-Backbone interact. energy: -0.134
local terms energy: -55.265890
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -222.425689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.425689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.425689 (E_RNA)
where:
Base-Base interactions energy: -145.745
where: short stacking energy: -69.600
Base-Backbone interact. energy: -0.001
local terms energy: -76.679746
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -8.925
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: 27
Temperature: 0.950000
Total energy: -226.663900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.663900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.663900 (E_RNA)
where:
Base-Base interactions energy: -150.369
where: short stacking energy: -79.190
Base-Backbone interact. energy: -0.005
local terms energy: -76.290391
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -22.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -216.511364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.511364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.511364 (E_RNA)
where:
Base-Base interactions energy: -139.511
where: short stacking energy: -76.266
Base-Backbone interact. energy: -0.555
local terms energy: -76.445444
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -19.050
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: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -190.421512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.421512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.421512 (E_RNA)
where:
Base-Base interactions energy: -123.495
where: short stacking energy: -68.102
Base-Backbone interact. energy: -0.404
local terms energy: -66.522497
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -13.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -219.114622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.114622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.114622 (E_RNA)
where:
Base-Base interactions energy: -147.604
where: short stacking energy: -73.964
Base-Backbone interact. energy: -0.875
local terms energy: -70.634738
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -20.012
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: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -179.648654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.648654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.648654 (E_RNA)
where:
Base-Base interactions energy: -111.425
where: short stacking energy: -57.155
Base-Backbone interact. energy: -0.080
local terms energy: -68.143456
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -11.167
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: 27
Temperature: 1.200000
Total energy: -100.674553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.674553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.674553 (E_RNA)
where:
Base-Base interactions energy: -49.180
where: short stacking energy: -49.180
Base-Backbone interact. energy: -0.071
local terms energy: -51.424295
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -5.245
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: 27
Temperature: 1.250000
Total energy: -101.314569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.314569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.314569 (E_RNA)
where:
Base-Base interactions energy: -51.788
where: short stacking energy: -36.721
Base-Backbone interact. energy: -0.228
local terms energy: -49.298619
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -7.593
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -92.974775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.974775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.974775 (E_RNA)
where:
Base-Base interactions energy: -48.943
where: short stacking energy: -22.932
Base-Backbone interact. energy: -0.141
local terms energy: -43.890502
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: 0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -89.913753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.913753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.913753 (E_RNA)
where:
Base-Base interactions energy: -41.600
where: short stacking energy: -36.964
Base-Backbone interact. energy: -0.378
local terms energy: -47.936511
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: -5.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -231.574171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.574171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.574171 (E_RNA)
where:
Base-Base interactions energy: -154.543
where: short stacking energy: -78.234
Base-Backbone interact. energy: -0.003
local terms energy: -77.027899
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -220.747754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.747754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.747754 (E_RNA)
where:
Base-Base interactions energy: -143.490
where: short stacking energy: -70.325
Base-Backbone interact. energy: -0.014
local terms energy: -77.243567
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -18.655
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: 28
Temperature: 1.000000
Total energy: -195.954737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.954737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.954737 (E_RNA)
where:
Base-Base interactions energy: -131.127
where: short stacking energy: -67.936
Base-Backbone interact. energy: -0.287
local terms energy: -64.540758
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -12.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -219.671530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.671530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.671530 (E_RNA)
where:
Base-Base interactions energy: -145.025
where: short stacking energy: -76.812
Base-Backbone interact. energy: -0.099
local terms energy: -74.547215
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -190.192530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.192530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.192530 (E_RNA)
where:
Base-Base interactions energy: -123.992
where: short stacking energy: -63.820
Base-Backbone interact. energy: -0.125
local terms energy: -66.074965
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -176.905609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.905609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.905609 (E_RNA)
where:
Base-Base interactions energy: -110.775
where: short stacking energy: -59.845
Base-Backbone interact. energy: -1.949
local terms energy: -64.181137
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -6.757
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: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -100.996720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.996720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.996720 (E_RNA)
where:
Base-Base interactions energy: -43.083
where: short stacking energy: -43.083
Base-Backbone interact. energy: -0.188
local terms energy: -57.725698
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -9.719
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: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -100.145465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.145465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.145465 (E_RNA)
where:
Base-Base interactions energy: -42.073
where: short stacking energy: -26.538
Base-Backbone interact. energy: -0.156
local terms energy: -57.916287
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -91.741673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.741673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.741673 (E_RNA)
where:
Base-Base interactions energy: -43.139
where: short stacking energy: -28.414
Base-Backbone interact. energy: 2.030
local terms energy: -50.633273
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -77.024945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.024945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.024945 (E_RNA)
where:
Base-Base interactions energy: -33.655
where: short stacking energy: -28.108
Base-Backbone interact. energy: -0.164
local terms energy: -43.206223
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: 1.324
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -231.305047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.305047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.305047 (E_RNA)
where:
Base-Base interactions energy: -155.349
where: short stacking energy: -81.046
Base-Backbone interact. energy: -0.682
local terms energy: -75.273917
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -219.767606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.767606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.767606 (E_RNA)
where:
Base-Base interactions energy: -144.725
where: short stacking energy: -68.906
Base-Backbone interact. energy: -0.003
local terms energy: -75.040110
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -196.427080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.427080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.427080 (E_RNA)
where:
Base-Base interactions energy: -134.769
where: short stacking energy: -62.531
Base-Backbone interact. energy: -0.477
local terms energy: -61.181009
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -12.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -218.571858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.571858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.571858 (E_RNA)
where:
Base-Base interactions energy: -144.916
where: short stacking energy: -75.139
Base-Backbone interact. energy: -0.901
local terms energy: -72.755630
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -186.825754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.825754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.825754 (E_RNA)
where:
Base-Base interactions energy: -124.170
where: short stacking energy: -61.136
Base-Backbone interact. energy: -0.003
local terms energy: -62.652520
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -191.419388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.419388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.419388 (E_RNA)
where:
Base-Base interactions energy: -122.065
where: short stacking energy: -66.923
Base-Backbone interact. energy: -0.063
local terms energy: -69.291866
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -149.667217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.667217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.667217 (E_RNA)
where:
Base-Base interactions energy: -95.677
where: short stacking energy: -45.262
Base-Backbone interact. energy: -0.357
local terms energy: -53.633548
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -109.337407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.337407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.337407 (E_RNA)
where:
Base-Base interactions energy: -46.075
where: short stacking energy: -44.706
Base-Backbone interact. energy: -0.016
local terms energy: -63.246463
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -8.575
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: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -112.011570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.011570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.011570 (E_RNA)
where:
Base-Base interactions energy: -48.742
where: short stacking energy: -46.664
Base-Backbone interact. energy: -0.001
local terms energy: -63.267666
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -10.960
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: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -79.779419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.779419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.779419 (E_RNA)
where:
Base-Base interactions energy: -35.309
where: short stacking energy: -35.309
Base-Backbone interact. energy: -0.191
local terms energy: -44.280310
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -220.467244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.467244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.467244 (E_RNA)
where:
Base-Base interactions energy: -143.734
where: short stacking energy: -78.191
Base-Backbone interact. energy: -0.927
local terms energy: -75.806412
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -19.545
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: 30
Temperature: 0.950000
Total energy: -227.327125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.327125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.327125 (E_RNA)
where:
Base-Base interactions energy: -154.477
where: short stacking energy: -82.699
Base-Backbone interact. energy: -0.282
local terms energy: -72.568421
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -24.920
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: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -207.241075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.241075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.241075 (E_RNA)
where:
Base-Base interactions energy: -130.467
where: short stacking energy: -63.685
Base-Backbone interact. energy: 0.079
local terms energy: -76.852702
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -195.367045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.367045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.367045 (E_RNA)
where:
Base-Base interactions energy: -130.849
where: short stacking energy: -73.297
Base-Backbone interact. energy: -0.087
local terms energy: -64.430353
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -14.068
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: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -172.847944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.847944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.847944 (E_RNA)
where:
Base-Base interactions energy: -113.892
where: short stacking energy: -60.287
Base-Backbone interact. energy: -0.105
local terms energy: -58.850670
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -9.196
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: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -183.126663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.126663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.126663 (E_RNA)
where:
Base-Base interactions energy: -117.652
where: short stacking energy: -68.248
Base-Backbone interact. energy: -0.001
local terms energy: -65.473549
where:
bonds (distance) C4'-P energy: -9.245
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -176.259089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.259089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.259089 (E_RNA)
where:
Base-Base interactions energy: -116.931
where: short stacking energy: -50.701
Base-Backbone interact. energy: -0.860
local terms energy: -58.467353
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -8.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -96.341547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.341547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.341547 (E_RNA)
where:
Base-Base interactions energy: -40.925
where: short stacking energy: -40.925
Base-Backbone interact. energy: -0.165
local terms energy: -55.251497
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -101.195752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.195752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.195752 (E_RNA)
where:
Base-Base interactions energy: -53.901
where: short stacking energy: -53.901
Base-Backbone interact. energy: -0.136
local terms energy: -47.158275
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -3.840
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -8.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -93.187657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.187657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.187657 (E_RNA)
where:
Base-Base interactions energy: -49.324
where: short stacking energy: -43.139
Base-Backbone interact. energy: -0.003
local terms energy: -43.860267
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -7.391
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -5.672
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: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -221.152900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.152900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.152900 (E_RNA)
where:
Base-Base interactions energy: -142.048
where: short stacking energy: -70.584
Base-Backbone interact. energy: -0.678
local terms energy: -78.426601
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -222.400877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.400877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.400877 (E_RNA)
where:
Base-Base interactions energy: -146.835
where: short stacking energy: -76.271
Base-Backbone interact. energy: -0.347
local terms energy: -75.218929
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -7.602
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: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -213.549045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.549045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.549045 (E_RNA)
where:
Base-Base interactions energy: -139.741
where: short stacking energy: -70.897
Base-Backbone interact. energy: -0.033
local terms energy: -73.775318
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -185.072533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.072533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.072533 (E_RNA)
where:
Base-Base interactions energy: -117.150
where: short stacking energy: -59.233
Base-Backbone interact. energy: -0.167
local terms energy: -67.755375
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -10.942
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: 5, replica: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -181.369604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.369604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.369604 (E_RNA)
where:
Base-Base interactions energy: -116.814
where: short stacking energy: -59.736
Base-Backbone interact. energy: -0.460
local terms energy: -64.095634
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -12.357
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -186.792136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.792136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.792136 (E_RNA)
where:
Base-Base interactions energy: -118.991
where: short stacking energy: -58.493
Base-Backbone interact. energy: -0.603
local terms energy: -67.197477
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -172.586467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.586467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.586467 (E_RNA)
where:
Base-Base interactions energy: -110.637
where: short stacking energy: -55.323
Base-Backbone interact. energy: -0.243
local terms energy: -61.705867
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -10.199
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -11.228
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: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -100.990046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.990046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.990046 (E_RNA)
where:
Base-Base interactions energy: -44.115
where: short stacking energy: -44.115
Base-Backbone interact. energy: -0.042
local terms energy: -56.833183
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -10.433
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: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -104.547027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.547027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.547027 (E_RNA)
where:
Base-Base interactions energy: -52.319
where: short stacking energy: -52.319
Base-Backbone interact. energy: -0.023
local terms energy: -52.205255
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -7.974
flat angles P-C4'-P energy: -7.373
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: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -81.826648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.826648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.826648 (E_RNA)
where:
Base-Base interactions energy: -34.396
where: short stacking energy: -34.035
Base-Backbone interact. energy: -0.049
local terms energy: -47.381601
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -229.059584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.059584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.059584 (E_RNA)
where:
Base-Base interactions energy: -149.160
where: short stacking energy: -80.518
Base-Backbone interact. energy: -0.041
local terms energy: -79.858791
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -24.125
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: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -228.493325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.493325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.493325 (E_RNA)
where:
Base-Base interactions energy: -148.684
where: short stacking energy: -76.466
Base-Backbone interact. energy: -0.029
local terms energy: -79.780245
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -23.034
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: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -216.145578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.145578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.145578 (E_RNA)
where:
Base-Base interactions energy: -140.166
where: short stacking energy: -72.179
Base-Backbone interact. energy: -0.202
local terms energy: -75.777929
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -21.110
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: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -200.878431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.878431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.878431 (E_RNA)
where:
Base-Base interactions energy: -124.704
where: short stacking energy: -67.809
Base-Backbone interact. energy: -0.001
local terms energy: -76.173568
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -17.642
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: 8
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -187.368968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.368968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.368968 (E_RNA)
where:
Base-Base interactions energy: -123.379
where: short stacking energy: -61.472
Base-Backbone interact. energy: -0.038
local terms energy: -63.951564
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -11.421
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: 32
Temperature: 1.150000
Total energy: -176.565200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.565200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.565200 (E_RNA)
where:
Base-Base interactions energy: -109.877
where: short stacking energy: -55.350
Base-Backbone interact. energy: -0.005
local terms energy: -66.682623
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -188.493428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.493428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.493428 (E_RNA)
where:
Base-Base interactions energy: -126.789
where: short stacking energy: -63.514
Base-Backbone interact. energy: -0.163
local terms energy: -61.541907
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -87.919853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.919853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.919853 (E_RNA)
where:
Base-Base interactions energy: -38.869
where: short stacking energy: -36.518
Base-Backbone interact. energy: 0.603
local terms energy: -49.654054
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -2.214
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: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -94.533847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.533847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.533847 (E_RNA)
where:
Base-Base interactions energy: -40.641
where: short stacking energy: -40.641
Base-Backbone interact. energy: 0.352
local terms energy: -54.244778
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -8.854
flat angles P-C4'-P energy: -4.895
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: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -93.757135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.757135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.757135 (E_RNA)
where:
Base-Base interactions energy: -43.916
where: short stacking energy: -42.613
Base-Backbone interact. energy: 2.613
local terms energy: -52.454793
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -7.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -227.517196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.517196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.517196 (E_RNA)
where:
Base-Base interactions energy: -152.422
where: short stacking energy: -79.009
Base-Backbone interact. energy: -0.287
local terms energy: -74.807775
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -220.640417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.640417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.640417 (E_RNA)
where:
Base-Base interactions energy: -143.967
where: short stacking energy: -69.373
Base-Backbone interact. energy: -0.017
local terms energy: -76.656526
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.922
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: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -227.097610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.097610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.097610 (E_RNA)
where:
Base-Base interactions energy: -151.525
where: short stacking energy: -75.962
Base-Backbone interact. energy: -0.584
local terms energy: -74.988489
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -22.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -216.151230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.151230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.151230 (E_RNA)
where:
Base-Base interactions energy: -151.395
where: short stacking energy: -76.316
Base-Backbone interact. energy: -0.048
local terms energy: -64.708188
where:
bonds (distance) C4'-P energy: -6.856
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -192.084099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.084099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.084099 (E_RNA)
where:
Base-Base interactions energy: -122.106
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.021
local terms energy: -69.956337
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -13.979
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: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -217.035763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.035763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.035763 (E_RNA)
where:
Base-Base interactions energy: -147.771
where: short stacking energy: -73.627
Base-Backbone interact. energy: -0.471
local terms energy: -68.793200
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -10.203
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: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -172.728055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.728055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.728055 (E_RNA)
where:
Base-Base interactions energy: -110.242
where: short stacking energy: -55.628
Base-Backbone interact. energy: -0.282
local terms energy: -62.203941
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -8.572
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: 33
Temperature: 1.250000
Total energy: -97.280091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.280091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.280091 (E_RNA)
where:
Base-Base interactions energy: -49.240
where: short stacking energy: -34.646
Base-Backbone interact. energy: -0.166
local terms energy: -47.874363
where:
bonds (distance) C4'-P energy: -7.718
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -89.822612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.822612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.822612 (E_RNA)
where:
Base-Base interactions energy: -35.847
where: short stacking energy: -35.137
Base-Backbone interact. energy: -0.341
local terms energy: -53.634542
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -6.815
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -86.347011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.347011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.347011 (E_RNA)
where:
Base-Base interactions energy: -31.506
where: short stacking energy: -31.506
Base-Backbone interact. energy: -0.118
local terms energy: -54.723014
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -232.333242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.333242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.333242 (E_RNA)
where:
Base-Base interactions energy: -151.053
where: short stacking energy: -79.345
Base-Backbone interact. energy: 0.787
local terms energy: -82.067535
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -18.275
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: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -208.692845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.692845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.692845 (E_RNA)
where:
Base-Base interactions energy: -134.876
where: short stacking energy: -77.709
Base-Backbone interact. energy: -0.001
local terms energy: -73.815830
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -18.559
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: 34
Temperature: 1.000000
Total energy: -223.745653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.745653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.745653 (E_RNA)
where:
Base-Base interactions energy: -151.278
where: short stacking energy: -78.473
Base-Backbone interact. energy: -0.004
local terms energy: -72.463325
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -22.317
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: 34
Temperature: 1.050000
Total energy: -208.365759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.365759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.365759 (E_RNA)
where:
Base-Base interactions energy: -132.616
where: short stacking energy: -68.589
Base-Backbone interact. energy: -0.117
local terms energy: -75.632914
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -223.151465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.151465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.151465 (E_RNA)
where:
Base-Base interactions energy: -147.598
where: short stacking energy: -76.184
Base-Backbone interact. energy: -0.013
local terms energy: -75.540391
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -206.033620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.033620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.033620 (E_RNA)
where:
Base-Base interactions energy: -137.915
where: short stacking energy: -67.771
Base-Backbone interact. energy: -0.239
local terms energy: -67.878745
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -16.478
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: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -169.133026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.133026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.133026 (E_RNA)
where:
Base-Base interactions energy: -109.426
where: short stacking energy: -52.593
Base-Backbone interact. energy: -0.267
local terms energy: -59.439600
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -10.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -100.192626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.192626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.192626 (E_RNA)
where:
Base-Base interactions energy: -45.816
where: short stacking energy: -45.324
Base-Backbone interact. energy: -0.134
local terms energy: -54.243119
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -9.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -93.122970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.122970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.122970 (E_RNA)
where:
Base-Base interactions energy: -41.310
where: short stacking energy: -39.618
Base-Backbone interact. energy: -0.059
local terms energy: -51.754011
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -91.314550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.314550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.314550 (E_RNA)
where:
Base-Base interactions energy: -34.364
where: short stacking energy: -33.090
Base-Backbone interact. energy: -1.215
local terms energy: -55.735631
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -6.731
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: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -232.629712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.629712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.629712 (E_RNA)
where:
Base-Base interactions energy: -153.163
where: short stacking energy: -83.910
Base-Backbone interact. energy: -0.020
local terms energy: -79.446107
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -22.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -231.576761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.576761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.576761 (E_RNA)
where:
Base-Base interactions energy: -153.741
where: short stacking energy: -76.608
Base-Backbone interact. energy: -0.182
local terms energy: -77.654062
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -20.868
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: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -191.851961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.851961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.851961 (E_RNA)
where:
Base-Base interactions energy: -118.972
where: short stacking energy: -68.587
Base-Backbone interact. energy: -0.290
local terms energy: -72.589994
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -216.072657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.072657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.072657 (E_RNA)
where:
Base-Base interactions energy: -145.846
where: short stacking energy: -63.798
Base-Backbone interact. energy: -0.295
local terms energy: -69.930951
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -8.387
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: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -185.790777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.790777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.790777 (E_RNA)
where:
Base-Base interactions energy: -124.896
where: short stacking energy: -69.495
Base-Backbone interact. energy: -0.013
local terms energy: -60.882076
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -13.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -186.200456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.200456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.200456 (E_RNA)
where:
Base-Base interactions energy: -117.152
where: short stacking energy: -64.109
Base-Backbone interact. energy: -0.577
local terms energy: -68.471446
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -9.119
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: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -170.103078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.103078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.103078 (E_RNA)
where:
Base-Base interactions energy: -113.997
where: short stacking energy: -59.184
Base-Backbone interact. energy: -0.003
local terms energy: -56.102461
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -124.920817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.920817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.920817 (E_RNA)
where:
Base-Base interactions energy: -63.514
where: short stacking energy: -39.897
Base-Backbone interact. energy: 0.117
local terms energy: -61.524028
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -92.322193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.322193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.322193 (E_RNA)
where:
Base-Base interactions energy: -30.157
where: short stacking energy: -29.868
Base-Backbone interact. energy: -0.333
local terms energy: -61.831487
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -87.814935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.814935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.814935 (E_RNA)
where:
Base-Base interactions energy: -27.425
where: short stacking energy: -27.425
Base-Backbone interact. energy: -0.027
local terms energy: -60.363410
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -229.874077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.874077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.874077 (E_RNA)
where:
Base-Base interactions energy: -151.934
where: short stacking energy: -81.983
Base-Backbone interact. energy: -0.001
local terms energy: -77.939188
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -229.391639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.391639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.391639 (E_RNA)
where:
Base-Base interactions energy: -150.974
where: short stacking energy: -77.902
Base-Backbone interact. energy: -0.003
local terms energy: -78.414612
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -22.860
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: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -227.889600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.889600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.889600 (E_RNA)
where:
Base-Base interactions energy: -154.449
where: short stacking energy: -76.436
Base-Backbone interact. energy: -0.003
local terms energy: -73.436707
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -226.651167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.651167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.651167 (E_RNA)
where:
Base-Base interactions energy: -148.603
where: short stacking energy: -80.800
Base-Backbone interact. energy: -0.239
local terms energy: -77.809078
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -192.462675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.462675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.462675 (E_RNA)
where:
Base-Base interactions energy: -119.669
where: short stacking energy: -67.966
Base-Backbone interact. energy: -0.092
local terms energy: -72.701880
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -182.606362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.606362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.606362 (E_RNA)
where:
Base-Base interactions energy: -122.489
where: short stacking energy: -55.477
Base-Backbone interact. energy: 2.121
local terms energy: -62.239086
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -12.181
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: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -174.842771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.842771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.842771 (E_RNA)
where:
Base-Base interactions energy: -110.711
where: short stacking energy: -54.069
Base-Backbone interact. energy: 0.307
local terms energy: -64.438966
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -113.826523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.826523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.826523 (E_RNA)
where:
Base-Base interactions energy: -69.258
where: short stacking energy: -41.525
Base-Backbone interact. energy: -0.057
local terms energy: -44.510726
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -1.137
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -151.903028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.903028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.903028 (E_RNA)
where:
Base-Base interactions energy: -93.214
where: short stacking energy: -49.275
Base-Backbone interact. energy: 1.143
local terms energy: -59.831613
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -11.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -89.453983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.453983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.453983 (E_RNA)
where:
Base-Base interactions energy: -49.170
where: short stacking energy: -41.375
Base-Backbone interact. energy: -0.145
local terms energy: -40.138853
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -6.290
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -218.436567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.436567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.436567 (E_RNA)
where:
Base-Base interactions energy: -145.240
where: short stacking energy: -76.454
Base-Backbone interact. energy: -0.001
local terms energy: -73.195711
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -236.590049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.590049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.590049 (E_RNA)
where:
Base-Base interactions energy: -153.833
where: short stacking energy: -73.245
Base-Backbone interact. energy: 0.562
local terms energy: -83.319040
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -212.237723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.237723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.237723 (E_RNA)
where:
Base-Base interactions energy: -140.137
where: short stacking energy: -70.236
Base-Backbone interact. energy: 0.182
local terms energy: -72.282398
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -196.298975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.298975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.298975 (E_RNA)
where:
Base-Base interactions energy: -125.075
where: short stacking energy: -66.029
Base-Backbone interact. energy: -1.167
local terms energy: -70.056252
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -210.475736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.475736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.475736 (E_RNA)
where:
Base-Base interactions energy: -130.673
where: short stacking energy: -61.424
Base-Backbone interact. energy: -0.019
local terms energy: -79.784149
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -185.678666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.678666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.678666 (E_RNA)
where:
Base-Base interactions energy: -114.545
where: short stacking energy: -60.774
Base-Backbone interact. energy: -0.248
local terms energy: -70.885045
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -194.074573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.074573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.074573 (E_RNA)
where:
Base-Base interactions energy: -126.619
where: short stacking energy: -62.810
Base-Backbone interact. energy: -0.146
local terms energy: -67.308894
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -164.543939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.543939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.543939 (E_RNA)
where:
Base-Base interactions energy: -106.517
where: short stacking energy: -50.884
Base-Backbone interact. energy: -0.486
local terms energy: -57.541394
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -11.162
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: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -101.311906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.311906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.311906 (E_RNA)
where:
Base-Base interactions energy: -39.603
where: short stacking energy: -35.050
Base-Backbone interact. energy: -0.390
local terms energy: -61.318959
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -5.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -98.030507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.030507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.030507 (E_RNA)
where:
Base-Base interactions energy: -43.778
where: short stacking energy: -42.929
Base-Backbone interact. energy: -0.026
local terms energy: -54.225862
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -8.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -242.099450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.099450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.099450 (E_RNA)
where:
Base-Base interactions energy: -162.959
where: short stacking energy: -82.581
Base-Backbone interact. energy: -0.001
local terms energy: -79.138786
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -11.176
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: 2, replica: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -215.562463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.562463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.562463 (E_RNA)
where:
Base-Base interactions energy: -143.981
where: short stacking energy: -65.772
Base-Backbone interact. energy: -0.000
local terms energy: -71.580663
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -15.655
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: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -222.601849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.601849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.601849 (E_RNA)
where:
Base-Base interactions energy: -145.322
where: short stacking energy: -72.577
Base-Backbone interact. energy: -1.038
local terms energy: -76.241934
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -11.434
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: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -211.716830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.716830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.716830 (E_RNA)
where:
Base-Base interactions energy: -141.129
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.151
local terms energy: -70.436450
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -19.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -201.601010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.601010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.601010 (E_RNA)
where:
Base-Base interactions energy: -135.772
where: short stacking energy: -70.619
Base-Backbone interact. energy: 0.824
local terms energy: -66.653106
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -5.936
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: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -179.754090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.754090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.754090 (E_RNA)
where:
Base-Base interactions energy: -114.948
where: short stacking energy: -60.866
Base-Backbone interact. energy: -0.057
local terms energy: -64.748899
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -8.230
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: 7, replica: 5
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -182.815980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.815980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.815980 (E_RNA)
where:
Base-Base interactions energy: -114.145
where: short stacking energy: -66.408
Base-Backbone interact. energy: -0.419
local terms energy: -68.251628
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -165.456740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.456740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.456740 (E_RNA)
where:
Base-Base interactions energy: -105.814
where: short stacking energy: -54.757
Base-Backbone interact. energy: 0.563
local terms energy: -60.205775
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -5.387
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: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -86.645897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.645897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.645897 (E_RNA)
where:
Base-Base interactions energy: -33.201
where: short stacking energy: -32.062
Base-Backbone interact. energy: -0.532
local terms energy: -52.912158
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -81.685758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.685758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.685758 (E_RNA)
where:
Base-Base interactions energy: -38.978
where: short stacking energy: -23.992
Base-Backbone interact. energy: -0.153
local terms energy: -42.554761
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -10.152
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: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -237.548541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.548541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.548541 (E_RNA)
where:
Base-Base interactions energy: -157.870
where: short stacking energy: -81.245
Base-Backbone interact. energy: -0.876
local terms energy: -78.802821
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -11.269
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: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -216.729037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.729037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.729037 (E_RNA)
where:
Base-Base interactions energy: -146.984
where: short stacking energy: -74.956
Base-Backbone interact. energy: -0.126
local terms energy: -69.619554
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -19.937
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: 39
Temperature: 1.000000
Total energy: -222.937684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.937684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.937684 (E_RNA)
where:
Base-Base interactions energy: -150.438
where: short stacking energy: -71.404
Base-Backbone interact. energy: -0.168
local terms energy: -72.331384
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -16.400
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: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -197.589999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.589999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.589999 (E_RNA)
where:
Base-Base interactions energy: -125.509
where: short stacking energy: -65.560
Base-Backbone interact. energy: -0.233
local terms energy: -71.847628
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -209.202310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.202310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.202310 (E_RNA)
where:
Base-Base interactions energy: -131.475
where: short stacking energy: -64.494
Base-Backbone interact. energy: 1.440
local terms energy: -79.167314
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -15.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -192.023838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.023838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.023838 (E_RNA)
where:
Base-Base interactions energy: -131.163
where: short stacking energy: -60.589
Base-Backbone interact. energy: -0.048
local terms energy: -60.813570
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -13.522
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: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -175.550131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.550131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.550131 (E_RNA)
where:
Base-Base interactions energy: -114.422
where: short stacking energy: -53.525
Base-Backbone interact. energy: -0.082
local terms energy: -61.045761
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -154.944084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.944084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.944084 (E_RNA)
where:
Base-Base interactions energy: -101.141
where: short stacking energy: -43.041
Base-Backbone interact. energy: -0.305
local terms energy: -53.497909
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -84.604725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.604725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.604725 (E_RNA)
where:
Base-Base interactions energy: -41.354
where: short stacking energy: -41.354
Base-Backbone interact. energy: -0.455
local terms energy: -42.795204
where:
bonds (distance) C4'-P energy: -8.494
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -79.108285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.108285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.108285 (E_RNA)
where:
Base-Base interactions energy: -22.939
where: short stacking energy: -22.543
Base-Backbone interact. energy: -0.297
local terms energy: -55.872904
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -10.604
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: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -220.734318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.734318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.734318 (E_RNA)
where:
Base-Base interactions energy: -144.210
where: short stacking energy: -67.815
Base-Backbone interact. energy: -0.002
local terms energy: -76.522568
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -16.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -239.022644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.022644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.022644 (E_RNA)
where:
Base-Base interactions energy: -158.171
where: short stacking energy: -85.180
Base-Backbone interact. energy: -0.895
local terms energy: -79.956988
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -20.994
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: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -215.726705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.726705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.726705 (E_RNA)
where:
Base-Base interactions energy: -139.080
where: short stacking energy: -70.639
Base-Backbone interact. energy: -1.053
local terms energy: -75.593041
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -19.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -194.995423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.995423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.995423 (E_RNA)
where:
Base-Base interactions energy: -132.786
where: short stacking energy: -57.541
Base-Backbone interact. energy: 0.619
local terms energy: -62.828768
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -8.304
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: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -211.413266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.413266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.413266 (E_RNA)
where:
Base-Base interactions energy: -141.981
where: short stacking energy: -69.041
Base-Backbone interact. energy: -0.010
local terms energy: -69.422556
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -7.762
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: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -190.998853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.998853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.998853 (E_RNA)
where:
Base-Base interactions energy: -124.984
where: short stacking energy: -58.285
Base-Backbone interact. energy: -0.638
local terms energy: -65.376354
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -6.516
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: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -171.560635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.560635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.560635 (E_RNA)
where:
Base-Base interactions energy: -106.390
where: short stacking energy: -52.809
Base-Backbone interact. energy: -0.469
local terms energy: -64.701404
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -166.559273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.559273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.559273 (E_RNA)
where:
Base-Base interactions energy: -106.884
where: short stacking energy: -55.049
Base-Backbone interact. energy: -0.171
local terms energy: -59.504314
where:
bonds (distance) C4'-P energy: -8.020
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -11.551
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: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -90.720542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.720542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.720542 (E_RNA)
where:
Base-Base interactions energy: -36.950
where: short stacking energy: -36.950
Base-Backbone interact. energy: -0.019
local terms energy: -53.751231
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -2.912
tors. eta vs tors. theta energy: -9.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -79.531634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.531634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.531634 (E_RNA)
where:
Base-Base interactions energy: -42.146
where: short stacking energy: -29.409
Base-Backbone interact. energy: -0.039
local terms energy: -37.347329
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: 2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -222.142899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.142899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.142899 (E_RNA)
where:
Base-Base interactions energy: -148.459
where: short stacking energy: -73.075
Base-Backbone interact. energy: -0.250
local terms energy: -73.434023
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -16.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -228.051931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.051931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.051931 (E_RNA)
where:
Base-Base interactions energy: -154.230
where: short stacking energy: -74.631
Base-Backbone interact. energy: -0.279
local terms energy: -73.542234
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -222.193753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.193753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.193753 (E_RNA)
where:
Base-Base interactions energy: -147.461
where: short stacking energy: -78.497
Base-Backbone interact. energy: -0.015
local terms energy: -74.718381
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -9.499
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: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -192.664009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.664009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.664009 (E_RNA)
where:
Base-Base interactions energy: -119.872
where: short stacking energy: -65.612
Base-Backbone interact. energy: -0.012
local terms energy: -72.779311
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -17.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -202.873844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.873844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.873844 (E_RNA)
where:
Base-Base interactions energy: -129.970
where: short stacking energy: -64.801
Base-Backbone interact. energy: -0.513
local terms energy: -72.391776
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -181.758093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.758093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.758093 (E_RNA)
where:
Base-Base interactions energy: -121.060
where: short stacking energy: -64.383
Base-Backbone interact. energy: -0.182
local terms energy: -60.516606
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -13.860
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: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -192.052024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.052024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.052024 (E_RNA)
where:
Base-Base interactions energy: -124.517
where: short stacking energy: -52.599
Base-Backbone interact. energy: -0.680
local terms energy: -66.854865
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -165.586693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.586693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.586693 (E_RNA)
where:
Base-Base interactions energy: -109.622
where: short stacking energy: -63.875
Base-Backbone interact. energy: -1.742
local terms energy: -54.223329
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -9.944
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -91.037209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.037209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.037209 (E_RNA)
where:
Base-Base interactions energy: -43.238
where: short stacking energy: -40.357
Base-Backbone interact. energy: 2.042
local terms energy: -49.841676
where:
bonds (distance) C4'-P energy: -5.730
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -88.213601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.213601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.213601 (E_RNA)
where:
Base-Base interactions energy: -39.477
where: short stacking energy: -39.477
Base-Backbone interact. energy: -0.095
local terms energy: -48.640977
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -0.699
tors. eta vs tors. theta energy: -9.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -231.544478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.544478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.544478 (E_RNA)
where:
Base-Base interactions energy: -159.079
where: short stacking energy: -73.747
Base-Backbone interact. energy: -0.556
local terms energy: -71.910024
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -19.461
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: 42
Temperature: 0.950000
Total energy: -230.999197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.999197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.999197 (E_RNA)
where:
Base-Base interactions energy: -154.592
where: short stacking energy: -83.582
Base-Backbone interact. energy: -0.060
local terms energy: -76.347766
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -20.624
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: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -231.158369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.158369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.158369 (E_RNA)
where:
Base-Base interactions energy: -152.432
where: short stacking energy: -73.913
Base-Backbone interact. energy: -0.185
local terms energy: -78.541612
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -23.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -199.918642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.918642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.918642 (E_RNA)
where:
Base-Base interactions energy: -132.290
where: short stacking energy: -70.708
Base-Backbone interact. energy: -0.354
local terms energy: -67.274116
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -201.044060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.044060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.044060 (E_RNA)
where:
Base-Base interactions energy: -139.827
where: short stacking energy: -65.033
Base-Backbone interact. energy: -0.038
local terms energy: -61.179166
where:
bonds (distance) C4'-P energy: -5.591
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -178.584519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.584519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.584519 (E_RNA)
where:
Base-Base interactions energy: -112.082
where: short stacking energy: -69.041
Base-Backbone interact. energy: 1.054
local terms energy: -67.556560
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -171.469016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.469016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.469016 (E_RNA)
where:
Base-Base interactions energy: -112.866
where: short stacking energy: -62.743
Base-Backbone interact. energy: -0.031
local terms energy: -58.571679
where:
bonds (distance) C4'-P energy: -6.333
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -174.871123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.871123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.871123 (E_RNA)
where:
Base-Base interactions energy: -113.182
where: short stacking energy: -63.337
Base-Backbone interact. energy: -0.024
local terms energy: -61.664649
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -10.280
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: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -94.742246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.742246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.742246 (E_RNA)
where:
Base-Base interactions energy: -47.379
where: short stacking energy: -41.832
Base-Backbone interact. energy: -0.021
local terms energy: -47.342087
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -92.304751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.304751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.304751 (E_RNA)
where:
Base-Base interactions energy: -40.068
where: short stacking energy: -20.757
Base-Backbone interact. energy: -0.445
local terms energy: -51.791434
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -233.259460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.259460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.259460 (E_RNA)
where:
Base-Base interactions energy: -154.390
where: short stacking energy: -80.064
Base-Backbone interact. energy: 0.351
local terms energy: -79.221165
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -228.036527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.036527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.036527 (E_RNA)
where:
Base-Base interactions energy: -147.979
where: short stacking energy: -72.267
Base-Backbone interact. energy: -0.045
local terms energy: -80.012238
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -225.477133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.477133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.477133 (E_RNA)
where:
Base-Base interactions energy: -144.888
where: short stacking energy: -82.361
Base-Backbone interact. energy: -0.166
local terms energy: -80.423027
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -207.506731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.506731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.506731 (E_RNA)
where:
Base-Base interactions energy: -141.208
where: short stacking energy: -66.334
Base-Backbone interact. energy: 1.421
local terms energy: -67.720412
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -208.929421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.929421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.929421 (E_RNA)
where:
Base-Base interactions energy: -139.231
where: short stacking energy: -70.459
Base-Backbone interact. energy: -0.008
local terms energy: -69.690433
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -184.658634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.658634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.658634 (E_RNA)
where:
Base-Base interactions energy: -122.257
where: short stacking energy: -61.877
Base-Backbone interact. energy: -0.011
local terms energy: -62.390454
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -7.087
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: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -179.126371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.126371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.126371 (E_RNA)
where:
Base-Base interactions energy: -115.722
where: short stacking energy: -58.193
Base-Backbone interact. energy: -0.007
local terms energy: -63.398005
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -12.724
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: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -175.773762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.773762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.773762 (E_RNA)
where:
Base-Base interactions energy: -114.435
where: short stacking energy: -53.987
Base-Backbone interact. energy: -0.078
local terms energy: -61.260651
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -8.264
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: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -97.169343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.169343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.169343 (E_RNA)
where:
Base-Base interactions energy: -37.118
where: short stacking energy: -34.108
Base-Backbone interact. energy: 2.418
local terms energy: -62.470100
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -78.062754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.062754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.062754 (E_RNA)
where:
Base-Base interactions energy: -32.914
where: short stacking energy: -31.117
Base-Backbone interact. energy: -0.109
local terms energy: -45.039685
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -231.251576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.251576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.251576 (E_RNA)
where:
Base-Base interactions energy: -156.604
where: short stacking energy: -85.216
Base-Backbone interact. energy: -1.410
local terms energy: -73.238062
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -21.376
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: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -226.493315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.493315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.493315 (E_RNA)
where:
Base-Base interactions energy: -150.797
where: short stacking energy: -68.053
Base-Backbone interact. energy: -1.056
local terms energy: -74.640595
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -221.266363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.266363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.266363 (E_RNA)
where:
Base-Base interactions energy: -147.846
where: short stacking energy: -75.702
Base-Backbone interact. energy: -0.192
local terms energy: -73.228640
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -202.456167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.456167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.456167 (E_RNA)
where:
Base-Base interactions energy: -136.215
where: short stacking energy: -68.016
Base-Backbone interact. energy: -0.042
local terms energy: -66.198745
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -195.255867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.255867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.255867 (E_RNA)
where:
Base-Base interactions energy: -132.491
where: short stacking energy: -71.553
Base-Backbone interact. energy: -0.117
local terms energy: -62.647932
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -6.949
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: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -181.578289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.578289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.578289 (E_RNA)
where:
Base-Base interactions energy: -123.087
where: short stacking energy: -67.207
Base-Backbone interact. energy: -0.730
local terms energy: -57.761919
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: 0.082
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -194.736278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.736278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.736278 (E_RNA)
where:
Base-Base interactions energy: -123.192
where: short stacking energy: -63.425
Base-Backbone interact. energy: -0.026
local terms energy: -71.518384
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -177.820351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.820351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.820351 (E_RNA)
where:
Base-Base interactions energy: -117.580
where: short stacking energy: -56.045
Base-Backbone interact. energy: -0.144
local terms energy: -60.096339
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -9.521
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: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -83.612108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.612108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.612108 (E_RNA)
where:
Base-Base interactions energy: -39.372
where: short stacking energy: -35.264
Base-Backbone interact. energy: -0.333
local terms energy: -43.906620
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -95.161197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.161197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.161197 (E_RNA)
where:
Base-Base interactions energy: -47.690
where: short stacking energy: -42.396
Base-Backbone interact. energy: -0.234
local terms energy: -47.236908
where:
bonds (distance) C4'-P energy: -6.495
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -4.715
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: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -227.063768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.063768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.063768 (E_RNA)
where:
Base-Base interactions energy: -151.631
where: short stacking energy: -82.321
Base-Backbone interact. energy: -0.001
local terms energy: -75.431899
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -21.615
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: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -211.870268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.870268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.870268 (E_RNA)
where:
Base-Base interactions energy: -137.012
where: short stacking energy: -70.713
Base-Backbone interact. energy: -0.012
local terms energy: -74.846690
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -229.954650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.954650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.954650 (E_RNA)
where:
Base-Base interactions energy: -151.310
where: short stacking energy: -77.397
Base-Backbone interact. energy: -0.156
local terms energy: -78.488180
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -18.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -189.195405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.195405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.195405 (E_RNA)
where:
Base-Base interactions energy: -123.564
where: short stacking energy: -64.635
Base-Backbone interact. energy: -0.057
local terms energy: -65.574306
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -5.852
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: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -204.158840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.158840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.158840 (E_RNA)
where:
Base-Base interactions energy: -134.755
where: short stacking energy: -65.945
Base-Backbone interact. energy: -0.007
local terms energy: -69.396613
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -10.421
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: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -213.928098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.928098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.928098 (E_RNA)
where:
Base-Base interactions energy: -144.286
where: short stacking energy: -71.851
Base-Backbone interact. energy: -0.785
local terms energy: -68.856999
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -179.126539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.126539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.126539 (E_RNA)
where:
Base-Base interactions energy: -116.058
where: short stacking energy: -62.202
Base-Backbone interact. energy: -0.169
local terms energy: -62.899069
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -12.267
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: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -168.563811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.563811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.563811 (E_RNA)
where:
Base-Base interactions energy: -108.461
where: short stacking energy: -53.906
Base-Backbone interact. energy: -0.730
local terms energy: -59.372952
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -7.020
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: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -85.226104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.226104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.226104 (E_RNA)
where:
Base-Base interactions energy: -36.147
where: short stacking energy: -31.796
Base-Backbone interact. energy: 0.220
local terms energy: -49.298786
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: 1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -77.949712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.949712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.949712 (E_RNA)
where:
Base-Base interactions energy: -31.477
where: short stacking energy: -31.477
Base-Backbone interact. energy: -0.161
local terms energy: -46.312408
where:
bonds (distance) C4'-P energy: -6.791
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -219.399365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.399365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.399365 (E_RNA)
where:
Base-Base interactions energy: -143.897
where: short stacking energy: -68.821
Base-Backbone interact. energy: -0.139
local terms energy: -75.362659
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -239.353011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.353011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.353011 (E_RNA)
where:
Base-Base interactions energy: -161.083
where: short stacking energy: -78.672
Base-Backbone interact. energy: -0.050
local terms energy: -78.219715
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -10.439
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: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -224.287998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.287998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.287998 (E_RNA)
where:
Base-Base interactions energy: -147.330
where: short stacking energy: -72.166
Base-Backbone interact. energy: -0.176
local terms energy: -76.782814
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -231.574013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.574013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.574013 (E_RNA)
where:
Base-Base interactions energy: -159.018
where: short stacking energy: -82.593
Base-Backbone interact. energy: -0.000
local terms energy: -72.556031
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -18.249
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: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -199.184910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.184910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.184910 (E_RNA)
where:
Base-Base interactions energy: -130.498
where: short stacking energy: -52.940
Base-Backbone interact. energy: -0.466
local terms energy: -68.221606
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -11.942
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: 6, replica: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -198.648077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.648077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.648077 (E_RNA)
where:
Base-Base interactions energy: -133.548
where: short stacking energy: -68.571
Base-Backbone interact. energy: -0.760
local terms energy: -64.339451
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -9.678
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: 7, replica: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -174.132400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.132400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.132400 (E_RNA)
where:
Base-Base interactions energy: -107.325
where: short stacking energy: -56.981
Base-Backbone interact. energy: -0.100
local terms energy: -66.707470
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -181.472203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.472203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.472203 (E_RNA)
where:
Base-Base interactions energy: -119.851
where: short stacking energy: -55.705
Base-Backbone interact. energy: -0.006
local terms energy: -61.615009
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -96.037307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.037307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.037307 (E_RNA)
where:
Base-Base interactions energy: -47.442
where: short stacking energy: -23.402
Base-Backbone interact. energy: -0.201
local terms energy: -48.394770
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -91.010888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.010888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.010888 (E_RNA)
where:
Base-Base interactions energy: -41.559
where: short stacking energy: -33.941
Base-Backbone interact. energy: 0.198
local terms energy: -49.649621
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -7.798
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: 1, replica: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -215.530838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.530838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.530838 (E_RNA)
where:
Base-Base interactions energy: -144.320
where: short stacking energy: -72.430
Base-Backbone interact. energy: -0.012
local terms energy: -71.198952
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -6.035
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: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -232.010587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.010587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.010587 (E_RNA)
where:
Base-Base interactions energy: -160.888
where: short stacking energy: -84.237
Base-Backbone interact. energy: -0.003
local terms energy: -71.119333
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -218.271667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.271667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.271667 (E_RNA)
where:
Base-Base interactions energy: -143.845
where: short stacking energy: -65.515
Base-Backbone interact. energy: -0.078
local terms energy: -74.347997
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -195.759401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.759401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.759401 (E_RNA)
where:
Base-Base interactions energy: -133.361
where: short stacking energy: -65.606
Base-Backbone interact. energy: -0.151
local terms energy: -62.247274
where:
bonds (distance) C4'-P energy: -7.064
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -226.979411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.979411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.979411 (E_RNA)
where:
Base-Base interactions energy: -152.039
where: short stacking energy: -77.300
Base-Backbone interact. energy: -0.760
local terms energy: -74.180534
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -7.252
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: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -183.252972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.252972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.252972 (E_RNA)
where:
Base-Base interactions energy: -111.839
where: short stacking energy: -53.105
Base-Backbone interact. energy: -1.361
local terms energy: -70.053386
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -179.329720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.329720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.329720 (E_RNA)
where:
Base-Base interactions energy: -121.175
where: short stacking energy: -63.926
Base-Backbone interact. energy: -0.064
local terms energy: -58.090664
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -7.028
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: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -188.702093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.702093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.702093 (E_RNA)
where:
Base-Base interactions energy: -125.175
where: short stacking energy: -66.170
Base-Backbone interact. energy: -0.696
local terms energy: -62.830793
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -97.734756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.734756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.734756 (E_RNA)
where:
Base-Base interactions energy: -44.014
where: short stacking energy: -44.014
Base-Backbone interact. energy: -0.411
local terms energy: -53.310347
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -12.217
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: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -91.387721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.387721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.387721 (E_RNA)
where:
Base-Base interactions energy: -40.963
where: short stacking energy: -34.723
Base-Backbone interact. energy: -0.027
local terms energy: -50.397707
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -9.280
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: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -197.736820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.736820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.736820 (E_RNA)
where:
Base-Base interactions energy: -129.903
where: short stacking energy: -66.187
Base-Backbone interact. energy: -0.070
local terms energy: -67.763372
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -4.229
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -228.155565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.155565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.155565 (E_RNA)
where:
Base-Base interactions energy: -151.918
where: short stacking energy: -82.033
Base-Backbone interact. energy: -1.054
local terms energy: -75.183111
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -220.729434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.729434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.729434 (E_RNA)
where:
Base-Base interactions energy: -139.849
where: short stacking energy: -72.381
Base-Backbone interact. energy: -1.055
local terms energy: -79.825035
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -12.802
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: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -215.924655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.924655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.924655 (E_RNA)
where:
Base-Base interactions energy: -140.451
where: short stacking energy: -69.553
Base-Backbone interact. energy: -1.678
local terms energy: -73.795236
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -22.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -222.168295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.168295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.168295 (E_RNA)
where:
Base-Base interactions energy: -152.215
where: short stacking energy: -79.242
Base-Backbone interact. energy: 1.307
local terms energy: -71.260164
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -192.249099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.249099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.249099 (E_RNA)
where:
Base-Base interactions energy: -126.299
where: short stacking energy: -69.647
Base-Backbone interact. energy: -0.176
local terms energy: -65.774225
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -10.548
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: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -187.659049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.659049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.659049 (E_RNA)
where:
Base-Base interactions energy: -120.908
where: short stacking energy: -61.503
Base-Backbone interact. energy: -0.793
local terms energy: -65.958003
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -186.126494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.126494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.126494 (E_RNA)
where:
Base-Base interactions energy: -120.814
where: short stacking energy: -65.695
Base-Backbone interact. energy: -0.535
local terms energy: -64.778131
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -91.223806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.223806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.223806 (E_RNA)
where:
Base-Base interactions energy: -35.338
where: short stacking energy: -35.338
Base-Backbone interact. energy: -0.077
local terms energy: -55.808002
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -7.306
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: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -82.939779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.939779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.939779 (E_RNA)
where:
Base-Base interactions energy: -40.461
where: short stacking energy: -30.170
Base-Backbone interact. energy: -0.892
local terms energy: -41.586651
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -3.501
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -230.931104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.931104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.931104 (E_RNA)
where:
Base-Base interactions energy: -157.601
where: short stacking energy: -78.919
Base-Backbone interact. energy: -0.321
local terms energy: -73.009590
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -4.901
tors. eta vs tors. theta energy: -21.802
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: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -211.312292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.312292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.312292 (E_RNA)
where:
Base-Base interactions energy: -133.990
where: short stacking energy: -65.793
Base-Backbone interact. energy: -0.034
local terms energy: -77.288197
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -228.329805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.329805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.329805 (E_RNA)
where:
Base-Base interactions energy: -160.152
where: short stacking energy: -79.034
Base-Backbone interact. energy: -0.004
local terms energy: -68.173119
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -208.272907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.272907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.272907 (E_RNA)
where:
Base-Base interactions energy: -136.231
where: short stacking energy: -67.962
Base-Backbone interact. energy: -0.455
local terms energy: -71.586933
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -12.958
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: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -207.743987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.743987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.743987 (E_RNA)
where:
Base-Base interactions energy: -135.235
where: short stacking energy: -69.156
Base-Backbone interact. energy: -0.001
local terms energy: -72.508197
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -10.446
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: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -191.500680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.500680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.500680 (E_RNA)
where:
Base-Base interactions energy: -126.050
where: short stacking energy: -72.583
Base-Backbone interact. energy: -0.359
local terms energy: -65.091477
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -194.391891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.391891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.391891 (E_RNA)
where:
Base-Base interactions energy: -131.243
where: short stacking energy: -60.584
Base-Backbone interact. energy: -0.777
local terms energy: -62.372566
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -171.049943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.049943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.049943 (E_RNA)
where:
Base-Base interactions energy: -118.077
where: short stacking energy: -53.529
Base-Backbone interact. energy: 0.195
local terms energy: -53.168030
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -13.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -93.729186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.729186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.729186 (E_RNA)
where:
Base-Base interactions energy: -49.022
where: short stacking energy: -47.649
Base-Backbone interact. energy: 1.467
local terms energy: -46.173902
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -2.237
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: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -87.924487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.924487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.924487 (E_RNA)
where:
Base-Base interactions energy: -41.606
where: short stacking energy: -37.293
Base-Backbone interact. energy: -0.257
local terms energy: -46.060577
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -2.652
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: 1, replica: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -230.465894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.465894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.465894 (E_RNA)
where:
Base-Base interactions energy: -156.107
where: short stacking energy: -76.520
Base-Backbone interact. energy: -0.391
local terms energy: -73.967957
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -220.607752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.607752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.607752 (E_RNA)
where:
Base-Base interactions energy: -142.139
where: short stacking energy: -68.666
Base-Backbone interact. energy: -0.115
local terms energy: -78.354143
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -219.721757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.721757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.721757 (E_RNA)
where:
Base-Base interactions energy: -144.988
where: short stacking energy: -70.635
Base-Backbone interact. energy: -0.553
local terms energy: -74.180473
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -199.103614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.103614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.103614 (E_RNA)
where:
Base-Base interactions energy: -132.825
where: short stacking energy: -69.861
Base-Backbone interact. energy: -0.019
local terms energy: -66.259456
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -194.647964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.647964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.647964 (E_RNA)
where:
Base-Base interactions energy: -128.548
where: short stacking energy: -63.169
Base-Backbone interact. energy: -0.091
local terms energy: -66.008981
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -14.280
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: 50
Temperature: 1.150000
Total energy: -176.826098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.826098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.826098 (E_RNA)
where:
Base-Base interactions energy: -110.215
where: short stacking energy: -55.216
Base-Backbone interact. energy: -0.076
local terms energy: -66.535326
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: -15.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -183.315607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.315607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.315607 (E_RNA)
where:
Base-Base interactions energy: -127.387
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.100
local terms energy: -55.828876
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -180.667294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.667294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.667294 (E_RNA)
where:
Base-Base interactions energy: -116.020
where: short stacking energy: -65.087
Base-Backbone interact. energy: -0.770
local terms energy: -63.876640
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -103.437904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.437904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.437904 (E_RNA)
where:
Base-Base interactions energy: -46.517
where: short stacking energy: -35.175
Base-Backbone interact. energy: -1.295
local terms energy: -55.626601
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -6.971
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: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -81.654292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.654292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.654292 (E_RNA)
where:
Base-Base interactions energy: -34.036
where: short stacking energy: -26.973
Base-Backbone interact. energy: 0.056
local terms energy: -47.674464
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -231.617694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.617694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.617694 (E_RNA)
where:
Base-Base interactions energy: -152.863
where: short stacking energy: -75.635
Base-Backbone interact. energy: -0.614
local terms energy: -78.139714
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -22.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -213.248676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.248676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.248676 (E_RNA)
where:
Base-Base interactions energy: -143.358
where: short stacking energy: -71.087
Base-Backbone interact. energy: -0.185
local terms energy: -69.705396
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -10.798
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: 3, replica: 10
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -216.644752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.644752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.644752 (E_RNA)
where:
Base-Base interactions energy: -140.703
where: short stacking energy: -73.429
Base-Backbone interact. energy: -1.465
local terms energy: -74.477126
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -10.757
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: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -187.505621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.505621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.505621 (E_RNA)
where:
Base-Base interactions energy: -122.808
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.066
local terms energy: -64.631227
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -177.860444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.860444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.860444 (E_RNA)
where:
Base-Base interactions energy: -105.318
where: short stacking energy: -52.548
Base-Backbone interact. energy: -0.576
local terms energy: -71.967310
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -203.338013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.338013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.338013 (E_RNA)
where:
Base-Base interactions energy: -129.797
where: short stacking energy: -62.175
Base-Backbone interact. energy: -0.339
local terms energy: -73.201805
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -171.283446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.283446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.283446 (E_RNA)
where:
Base-Base interactions energy: -110.799
where: short stacking energy: -54.546
Base-Backbone interact. energy: -0.129
local terms energy: -60.355313
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -10.489
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: 51
Temperature: 1.250000
Total energy: -166.464953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.464953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.464953 (E_RNA)
where:
Base-Base interactions energy: -111.670
where: short stacking energy: -52.067
Base-Backbone interact. energy: 1.685
local terms energy: -56.479974
where:
bonds (distance) C4'-P energy: -8.667
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -11.137
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: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -94.676151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.676151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.676151 (E_RNA)
where:
Base-Base interactions energy: -41.730
where: short stacking energy: -41.730
Base-Backbone interact. energy: 0.980
local terms energy: -53.925808
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -85.241520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.241520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.241520 (E_RNA)
where:
Base-Base interactions energy: -30.043
where: short stacking energy: -29.403
Base-Backbone interact. energy: -0.217
local terms energy: -54.981472
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -224.562860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.562860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.562860 (E_RNA)
where:
Base-Base interactions energy: -141.227
where: short stacking energy: -70.385
Base-Backbone interact. energy: -0.082
local terms energy: -83.253594
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -21.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -225.533154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.533154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.533154 (E_RNA)
where:
Base-Base interactions energy: -152.024
where: short stacking energy: -71.730
Base-Backbone interact. energy: -0.004
local terms energy: -73.505165
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -211.367312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.367312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.367312 (E_RNA)
where:
Base-Base interactions energy: -139.323
where: short stacking energy: -66.445
Base-Backbone interact. energy: -1.263
local terms energy: -70.781076
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -182.858738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.858738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.858738 (E_RNA)
where:
Base-Base interactions energy: -118.170
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.651
local terms energy: -64.037736
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -6.948
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: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -218.396549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.396549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.396549 (E_RNA)
where:
Base-Base interactions energy: -145.763
where: short stacking energy: -74.685
Base-Backbone interact. energy: -0.094
local terms energy: -72.539936
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -200.510813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.510813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.510813 (E_RNA)
where:
Base-Base interactions energy: -136.327
where: short stacking energy: -66.259
Base-Backbone interact. energy: -0.145
local terms energy: -64.038634
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -12.852
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: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -175.476649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.476649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.476649 (E_RNA)
where:
Base-Base interactions energy: -110.511
where: short stacking energy: -53.734
Base-Backbone interact. energy: -0.718
local terms energy: -64.248005
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -167.329617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.329617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.329617 (E_RNA)
where:
Base-Base interactions energy: -106.321
where: short stacking energy: -50.250
Base-Backbone interact. energy: -0.486
local terms energy: -60.522857
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -84.597347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.597347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.597347 (E_RNA)
where:
Base-Base interactions energy: -32.257
where: short stacking energy: -32.257
Base-Backbone interact. energy: -0.020
local terms energy: -52.320625
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -87.162909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.162909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.162909 (E_RNA)
where:
Base-Base interactions energy: -31.805
where: short stacking energy: -31.805
Base-Backbone interact. energy: -0.158
local terms energy: -55.199291
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -234.798972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.798972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.798972 (E_RNA)
where:
Base-Base interactions energy: -151.183
where: short stacking energy: -72.665
Base-Backbone interact. energy: -0.000
local terms energy: -83.615980
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -12.451
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: 2, replica: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -220.147981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.147981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.147981 (E_RNA)
where:
Base-Base interactions energy: -149.818
where: short stacking energy: -78.663
Base-Backbone interact. energy: -1.383
local terms energy: -68.946832
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -18.388
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: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -226.395680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.395680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.395680 (E_RNA)
where:
Base-Base interactions energy: -148.429
where: short stacking energy: -73.814
Base-Backbone interact. energy: -0.108
local terms energy: -77.859144
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -21.484
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: 53
Temperature: 1.050000
Total energy: -202.458105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.458105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.458105 (E_RNA)
where:
Base-Base interactions energy: -137.478
where: short stacking energy: -68.646
Base-Backbone interact. energy: -0.002
local terms energy: -64.977771
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -1.421
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -179.124338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.124338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.124338 (E_RNA)
where:
Base-Base interactions energy: -117.893
where: short stacking energy: -55.743
Base-Backbone interact. energy: 0.280
local terms energy: -61.510869
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -9.547
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: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -192.497471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.497471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.497471 (E_RNA)
where:
Base-Base interactions energy: -128.262
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.011
local terms energy: -64.224962
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -12.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -190.858342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.858342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.858342 (E_RNA)
where:
Base-Base interactions energy: -122.472
where: short stacking energy: -60.090
Base-Backbone interact. energy: -0.050
local terms energy: -68.336494
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -11.695
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: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -168.172261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.172261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.172261 (E_RNA)
where:
Base-Base interactions energy: -104.025
where: short stacking energy: -46.632
Base-Backbone interact. energy: 1.238
local terms energy: -65.385443
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -10.915
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: 53
Temperature: 1.300000
Total energy: -94.161437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.161437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.161437 (E_RNA)
where:
Base-Base interactions energy: -46.505
where: short stacking energy: -44.854
Base-Backbone interact. energy: -0.102
local terms energy: -47.554115
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -8.433
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -4.356
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: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -91.480013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.480013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.480013 (E_RNA)
where:
Base-Base interactions energy: -44.599
where: short stacking energy: -26.996
Base-Backbone interact. energy: -0.128
local terms energy: -46.752965
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -231.914707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.914707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.914707 (E_RNA)
where:
Base-Base interactions energy: -148.025
where: short stacking energy: -77.306
Base-Backbone interact. energy: -0.651
local terms energy: -83.238618
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -218.980537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.980537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.980537 (E_RNA)
where:
Base-Base interactions energy: -140.255
where: short stacking energy: -65.542
Base-Backbone interact. energy: -0.042
local terms energy: -78.683555
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -215.231187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.231187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.231187 (E_RNA)
where:
Base-Base interactions energy: -143.571
where: short stacking energy: -72.092
Base-Backbone interact. energy: -0.578
local terms energy: -71.082078
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -201.992119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.992119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.992119 (E_RNA)
where:
Base-Base interactions energy: -132.525
where: short stacking energy: -68.604
Base-Backbone interact. energy: -0.707
local terms energy: -68.760592
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -197.231883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.231883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.231883 (E_RNA)
where:
Base-Base interactions energy: -130.012
where: short stacking energy: -74.896
Base-Backbone interact. energy: -0.295
local terms energy: -66.925167
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -182.264443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.264443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.264443 (E_RNA)
where:
Base-Base interactions energy: -125.490
where: short stacking energy: -60.925
Base-Backbone interact. energy: -0.360
local terms energy: -56.414061
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -2.536
tors. eta vs tors. theta energy: -11.968
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: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -184.700192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.700192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.700192 (E_RNA)
where:
Base-Base interactions energy: -120.215
where: short stacking energy: -54.693
Base-Backbone interact. energy: -0.104
local terms energy: -64.381589
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -12.132
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: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -176.025660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.025660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.025660 (E_RNA)
where:
Base-Base interactions energy: -111.591
where: short stacking energy: -64.777
Base-Backbone interact. energy: -0.001
local terms energy: -64.433305
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -8.069
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: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -90.263036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.263036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.263036 (E_RNA)
where:
Base-Base interactions energy: -37.745
where: short stacking energy: -37.067
Base-Backbone interact. energy: 3.338
local terms energy: -55.855549
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -79.263179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.263179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.263179 (E_RNA)
where:
Base-Base interactions energy: -26.738
where: short stacking energy: -21.507
Base-Backbone interact. energy: -0.266
local terms energy: -52.259110
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -226.275823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.275823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.275823 (E_RNA)
where:
Base-Base interactions energy: -143.390
where: short stacking energy: -71.761
Base-Backbone interact. energy: -0.014
local terms energy: -82.871750
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -224.000367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.000367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.000367 (E_RNA)
where:
Base-Base interactions energy: -145.996
where: short stacking energy: -79.841
Base-Backbone interact. energy: -0.623
local terms energy: -77.381028
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -213.596815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.596815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.596815 (E_RNA)
where:
Base-Base interactions energy: -141.990
where: short stacking energy: -72.639
Base-Backbone interact. energy: -0.576
local terms energy: -71.030336
where:
bonds (distance) C4'-P energy: -8.253
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -204.674674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.674674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.674674 (E_RNA)
where:
Base-Base interactions energy: -132.360
where: short stacking energy: -71.886
Base-Backbone interact. energy: -0.030
local terms energy: -72.285030
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -8.206
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: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -201.901016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.901016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.901016 (E_RNA)
where:
Base-Base interactions energy: -135.254
where: short stacking energy: -60.120
Base-Backbone interact. energy: -1.043
local terms energy: -65.603876
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -191.572363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.572363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.572363 (E_RNA)
where:
Base-Base interactions energy: -133.738
where: short stacking energy: -67.981
Base-Backbone interact. energy: -0.266
local terms energy: -57.568953
where:
bonds (distance) C4'-P energy: -7.892
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -3.443
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -176.325424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.325424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.325424 (E_RNA)
where:
Base-Base interactions energy: -116.320
where: short stacking energy: -56.326
Base-Backbone interact. energy: -0.034
local terms energy: -59.971479
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -103.886791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.886791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.886791 (E_RNA)
where:
Base-Base interactions energy: -44.263
where: short stacking energy: -42.788
Base-Backbone interact. energy: -0.003
local terms energy: -59.621227
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -3.726
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: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -169.704838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.704838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.704838 (E_RNA)
where:
Base-Base interactions energy: -110.285
where: short stacking energy: -55.128
Base-Backbone interact. energy: -0.004
local terms energy: -59.415729
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -87.668657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.668657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.668657 (E_RNA)
where:
Base-Base interactions energy: -39.813
where: short stacking energy: -36.565
Base-Backbone interact. energy: -0.056
local terms energy: -47.799829
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -223.497125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.497125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.497125 (E_RNA)
where:
Base-Base interactions energy: -150.341
where: short stacking energy: -72.649
Base-Backbone interact. energy: -0.439
local terms energy: -72.716992
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -16.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -225.710548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.710548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.710548 (E_RNA)
where:
Base-Base interactions energy: -148.056
where: short stacking energy: -72.384
Base-Backbone interact. energy: -0.037
local terms energy: -77.617032
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -221.189307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.189307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.189307 (E_RNA)
where:
Base-Base interactions energy: -149.379
where: short stacking energy: -71.167
Base-Backbone interact. energy: -0.095
local terms energy: -71.715007
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -215.063780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.063780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.063780 (E_RNA)
where:
Base-Base interactions energy: -141.757
where: short stacking energy: -71.663
Base-Backbone interact. energy: -0.337
local terms energy: -72.969819
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -224.876036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.876036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.876036 (E_RNA)
where:
Base-Base interactions energy: -148.356
where: short stacking energy: -76.589
Base-Backbone interact. energy: -0.218
local terms energy: -76.302049
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -22.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -195.535148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.535148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.535148 (E_RNA)
where:
Base-Base interactions energy: -127.652
where: short stacking energy: -62.173
Base-Backbone interact. energy: -0.005
local terms energy: -67.878301
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -18.581
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: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -188.818893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.818893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.818893 (E_RNA)
where:
Base-Base interactions energy: -129.008
where: short stacking energy: -61.049
Base-Backbone interact. energy: -0.005
local terms energy: -59.805816
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -93.646023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.646023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.646023 (E_RNA)
where:
Base-Base interactions energy: -41.172
where: short stacking energy: -32.978
Base-Backbone interact. energy: 0.011
local terms energy: -52.485108
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -10.735
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: 9, replica: 2
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -150.386339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.386339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.386339 (E_RNA)
where:
Base-Base interactions energy: -100.560
where: short stacking energy: -48.203
Base-Backbone interact. energy: -0.076
local terms energy: -49.750030
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -6.312
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -79.460523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.460523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.460523 (E_RNA)
where:
Base-Base interactions energy: -27.970
where: short stacking energy: -25.132
Base-Backbone interact. energy: -0.268
local terms energy: -51.221794
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -224.508112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.508112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.508112 (E_RNA)
where:
Base-Base interactions energy: -150.894
where: short stacking energy: -75.706
Base-Backbone interact. energy: -0.124
local terms energy: -73.489875
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -17.242
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: 57
Temperature: 0.950000
Total energy: -229.503986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.503986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.503986 (E_RNA)
where:
Base-Base interactions energy: -147.946
where: short stacking energy: -78.855
Base-Backbone interact. energy: -0.071
local terms energy: -81.487236
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -12.106
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: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -220.806843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.806843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.806843 (E_RNA)
where:
Base-Base interactions energy: -143.187
where: short stacking energy: -75.970
Base-Backbone interact. energy: -0.188
local terms energy: -77.431557
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -209.092313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.092313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.092313 (E_RNA)
where:
Base-Base interactions energy: -140.918
where: short stacking energy: -66.968
Base-Backbone interact. energy: -0.221
local terms energy: -67.953286
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -10.004
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: 5, replica: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -218.227878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.227878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.227878 (E_RNA)
where:
Base-Base interactions energy: -142.459
where: short stacking energy: -72.933
Base-Backbone interact. energy: -0.585
local terms energy: -75.184033
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -19.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -174.093777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.093777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.093777 (E_RNA)
where:
Base-Base interactions energy: -114.170
where: short stacking energy: -59.801
Base-Backbone interact. energy: -0.059
local terms energy: -59.865092
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -7.523
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: 7, replica: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -162.892733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.892733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.892733 (E_RNA)
where:
Base-Base interactions energy: -106.923
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.145
local terms energy: -55.824857
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -2.224
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: 8, replica: 2
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -157.970425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.970425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.970425 (E_RNA)
where:
Base-Base interactions energy: -103.561
where: short stacking energy: -49.962
Base-Backbone interact. energy: -1.076
local terms energy: -53.333409
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -92.002254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.002254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.002254 (E_RNA)
where:
Base-Base interactions energy: -45.227
where: short stacking energy: -29.051
Base-Backbone interact. energy: -0.198
local terms energy: -46.577007
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -4.888
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: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -83.273351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.273351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.273351 (E_RNA)
where:
Base-Base interactions energy: -25.684
where: short stacking energy: -25.684
Base-Backbone interact. energy: -0.104
local terms energy: -57.485265
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -6.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -223.601757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.601757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.601757 (E_RNA)
where:
Base-Base interactions energy: -151.679
where: short stacking energy: -74.291
Base-Backbone interact. energy: -0.700
local terms energy: -71.223109
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -8.823
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: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -225.501509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.501509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.501509 (E_RNA)
where:
Base-Base interactions energy: -151.478
where: short stacking energy: -76.363
Base-Backbone interact. energy: 1.248
local terms energy: -75.271833
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -19.960
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: 58
Temperature: 1.000000
Total energy: -222.231639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.231639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.231639 (E_RNA)
where:
Base-Base interactions energy: -147.174
where: short stacking energy: -68.212
Base-Backbone interact. energy: -0.428
local terms energy: -74.629536
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -223.182273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.182273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.182273 (E_RNA)
where:
Base-Base interactions energy: -149.967
where: short stacking energy: -74.612
Base-Backbone interact. energy: -0.061
local terms energy: -73.154338
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -9.118
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: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -187.575440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.575440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.575440 (E_RNA)
where:
Base-Base interactions energy: -124.891
where: short stacking energy: -73.572
Base-Backbone interact. energy: -0.009
local terms energy: -62.675238
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -3.287
tors. eta vs tors. theta energy: -15.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -219.119876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.119876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.119876 (E_RNA)
where:
Base-Base interactions energy: -147.480
where: short stacking energy: -73.663
Base-Backbone interact. energy: -0.039
local terms energy: -71.601271
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -189.383717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.383717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.383717 (E_RNA)
where:
Base-Base interactions energy: -123.271
where: short stacking energy: -62.125
Base-Backbone interact. energy: -0.044
local terms energy: -66.068944
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -15.558
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: 2
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -164.942945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.942945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.942945 (E_RNA)
where:
Base-Base interactions energy: -103.055
where: short stacking energy: -49.692
Base-Backbone interact. energy: -0.020
local terms energy: -61.867694
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -10.593
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: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -95.072161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.072161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.072161 (E_RNA)
where:
Base-Base interactions energy: -41.909
where: short stacking energy: -30.714
Base-Backbone interact. energy: -0.918
local terms energy: -52.245282
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -82.614285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.614285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.614285 (E_RNA)
where:
Base-Base interactions energy: -36.498
where: short stacking energy: -25.943
Base-Backbone interact. energy: -1.246
local terms energy: -44.870113
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -9.148
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: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -224.418952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.418952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.418952 (E_RNA)
where:
Base-Base interactions energy: -146.962
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.003
local terms energy: -77.454713
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -12.204
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: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -222.092485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.092485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.092485 (E_RNA)
where:
Base-Base interactions energy: -150.700
where: short stacking energy: -73.132
Base-Backbone interact. energy: -0.407
local terms energy: -70.985534
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -218.713946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.713946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.713946 (E_RNA)
where:
Base-Base interactions energy: -143.370
where: short stacking energy: -72.892
Base-Backbone interact. energy: -0.285
local terms energy: -75.058002
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -20.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -198.369429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.369429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.369429 (E_RNA)
where:
Base-Base interactions energy: -127.049
where: short stacking energy: -69.052
Base-Backbone interact. energy: -0.001
local terms energy: -71.320347
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -20.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -196.294672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.294672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.294672 (E_RNA)
where:
Base-Base interactions energy: -126.823
where: short stacking energy: -58.543
Base-Backbone interact. energy: -0.064
local terms energy: -69.407742
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -13.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -191.539257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.539257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.539257 (E_RNA)
where:
Base-Base interactions energy: -124.993
where: short stacking energy: -54.548
Base-Backbone interact. energy: -0.050
local terms energy: -66.495509
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -179.183517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.183517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.183517 (E_RNA)
where:
Base-Base interactions energy: -108.880
where: short stacking energy: -50.671
Base-Backbone interact. energy: -1.027
local terms energy: -69.276374
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -92.507553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.507553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.507553 (E_RNA)
where:
Base-Base interactions energy: -38.029
where: short stacking energy: -28.807
Base-Backbone interact. energy: 0.148
local terms energy: -54.626379
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -0.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -166.777848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.777848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.777848 (E_RNA)
where:
Base-Base interactions energy: -100.701
where: short stacking energy: -50.784
Base-Backbone interact. energy: -0.010
local terms energy: -66.066791
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -14.511
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: 59
Temperature: 1.350000
Total energy: -98.516340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.516340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.516340 (E_RNA)
where:
Base-Base interactions energy: -43.180
where: short stacking energy: -32.938
Base-Backbone interact. energy: -0.679
local terms energy: -54.657288
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -238.362561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.362561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.362561 (E_RNA)
where:
Base-Base interactions energy: -163.275
where: short stacking energy: -81.004
Base-Backbone interact. energy: -0.000
local terms energy: -75.087351
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -219.225367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.225367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.225367 (E_RNA)
where:
Base-Base interactions energy: -146.017
where: short stacking energy: -72.356
Base-Backbone interact. energy: 0.504
local terms energy: -73.712058
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -216.842543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.842543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.842543 (E_RNA)
where:
Base-Base interactions energy: -139.397
where: short stacking energy: -73.199
Base-Backbone interact. energy: -0.017
local terms energy: -77.428963
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -12.423
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: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -212.341206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.341206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.341206 (E_RNA)
where:
Base-Base interactions energy: -143.074
where: short stacking energy: -70.345
Base-Backbone interact. energy: -0.227
local terms energy: -69.040672
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -9.709
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -16.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -189.807105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.807105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.807105 (E_RNA)
where:
Base-Base interactions energy: -120.907
where: short stacking energy: -71.272
Base-Backbone interact. energy: -0.036
local terms energy: -68.864612
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -198.939352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.939352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.939352 (E_RNA)
where:
Base-Base interactions energy: -133.089
where: short stacking energy: -66.691
Base-Backbone interact. energy: 0.800
local terms energy: -66.650580
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -171.703542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.703542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.703542 (E_RNA)
where:
Base-Base interactions energy: -105.717
where: short stacking energy: -53.564
Base-Backbone interact. energy: 0.228
local terms energy: -66.215007
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -92.123670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.123670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.123670 (E_RNA)
where:
Base-Base interactions energy: -48.773
where: short stacking energy: -30.057
Base-Backbone interact. energy: 1.140
local terms energy: -44.491364
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: 0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -167.397291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.397291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.397291 (E_RNA)
where:
Base-Base interactions energy: -106.443
where: short stacking energy: -45.161
Base-Backbone interact. energy: -0.247
local terms energy: -60.706976
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -9.690
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -115.156593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.156593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.156593 (E_RNA)
where:
Base-Base interactions energy: -67.693
where: short stacking energy: -52.702
Base-Backbone interact. energy: -0.054
local terms energy: -47.409074
where:
bonds (distance) C4'-P energy: -4.966
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -9.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -229.041343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.041343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.041343 (E_RNA)
where:
Base-Base interactions energy: -149.097
where: short stacking energy: -73.844
Base-Backbone interact. energy: -0.599
local terms energy: -79.344720
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -19.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -224.938743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.938743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.938743 (E_RNA)
where:
Base-Base interactions energy: -149.263
where: short stacking energy: -78.009
Base-Backbone interact. energy: -0.000
local terms energy: -75.674973
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -21.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -217.398467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.398467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.398467 (E_RNA)
where:
Base-Base interactions energy: -142.501
where: short stacking energy: -72.276
Base-Backbone interact. energy: -0.488
local terms energy: -74.409304
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -20.676
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: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -220.204445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.204445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.204445 (E_RNA)
where:
Base-Base interactions energy: -150.644
where: short stacking energy: -74.633
Base-Backbone interact. energy: -0.259
local terms energy: -69.301486
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -20.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -178.146184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.146184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.146184 (E_RNA)
where:
Base-Base interactions energy: -113.153
where: short stacking energy: -54.733
Base-Backbone interact. energy: -0.027
local terms energy: -64.966578
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -12.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -215.021993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.021993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.021993 (E_RNA)
where:
Base-Base interactions energy: -149.811
where: short stacking energy: -73.329
Base-Backbone interact. energy: -0.002
local terms energy: -65.209386
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -179.110955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.110955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.110955 (E_RNA)
where:
Base-Base interactions energy: -117.521
where: short stacking energy: -62.229
Base-Backbone interact. energy: -0.565
local terms energy: -61.024962
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -167.101189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.101189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.101189 (E_RNA)
where:
Base-Base interactions energy: -98.144
where: short stacking energy: -49.410
Base-Backbone interact. energy: -0.014
local terms energy: -68.943218
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -8.912
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: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -109.739016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.739016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.739016 (E_RNA)
where:
Base-Base interactions energy: -49.008
where: short stacking energy: -36.484
Base-Backbone interact. energy: 1.522
local terms energy: -62.252641
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -101.766418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.766418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.766418 (E_RNA)
where:
Base-Base interactions energy: -49.201
where: short stacking energy: -49.201
Base-Backbone interact. energy: -0.086
local terms energy: -52.479001
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -12.768
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: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -219.617620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.617620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.617620 (E_RNA)
where:
Base-Base interactions energy: -147.344
where: short stacking energy: -72.166
Base-Backbone interact. energy: -0.015
local terms energy: -72.258212
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -225.027167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.027167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.027167 (E_RNA)
where:
Base-Base interactions energy: -145.975
where: short stacking energy: -75.912
Base-Backbone interact. energy: -0.329
local terms energy: -78.723203
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -221.361951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.361951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.361951 (E_RNA)
where:
Base-Base interactions energy: -140.937
where: short stacking energy: -72.671
Base-Backbone interact. energy: -0.217
local terms energy: -80.208023
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -22.148
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: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -223.329526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.329526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.329526 (E_RNA)
where:
Base-Base interactions energy: -151.930
where: short stacking energy: -79.973
Base-Backbone interact. energy: -1.359
local terms energy: -70.039662
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -21.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -199.720231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.720231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.720231 (E_RNA)
where:
Base-Base interactions energy: -130.213
where: short stacking energy: -65.419
Base-Backbone interact. energy: -0.005
local terms energy: -69.502442
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -15.277
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: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -182.278800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.278800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.278800 (E_RNA)
where:
Base-Base interactions energy: -120.596
where: short stacking energy: -68.495
Base-Backbone interact. energy: -0.277
local terms energy: -61.406378
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -176.011893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.011893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.011893 (E_RNA)
where:
Base-Base interactions energy: -115.022
where: short stacking energy: -56.953
Base-Backbone interact. energy: -0.057
local terms energy: -60.932287
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -9.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -163.113986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.113986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.113986 (E_RNA)
where:
Base-Base interactions energy: -106.345
where: short stacking energy: -56.564
Base-Backbone interact. energy: -1.957
local terms energy: -54.812241
where:
bonds (distance) C4'-P energy: -8.887
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -7.032
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: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -86.882827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.882827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.882827 (E_RNA)
where:
Base-Base interactions energy: -44.518
where: short stacking energy: -44.518
Base-Backbone interact. energy: -0.220
local terms energy: -42.144804
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -2.581
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -86.047635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.047635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.047635 (E_RNA)
where:
Base-Base interactions energy: -34.313
where: short stacking energy: -34.313
Base-Backbone interact. energy: -0.133
local terms energy: -51.602052
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -6.810
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: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -219.768342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.768342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.768342 (E_RNA)
where:
Base-Base interactions energy: -143.611
where: short stacking energy: -74.279
Base-Backbone interact. energy: -0.805
local terms energy: -75.352898
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -18.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -232.694749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.694749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.694749 (E_RNA)
where:
Base-Base interactions energy: -152.370
where: short stacking energy: -79.098
Base-Backbone interact. energy: -0.177
local terms energy: -80.147677
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -219.840923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.840923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.840923 (E_RNA)
where:
Base-Base interactions energy: -143.364
where: short stacking energy: -73.845
Base-Backbone interact. energy: -0.686
local terms energy: -75.790434
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -199.419492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.419492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.419492 (E_RNA)
where:
Base-Base interactions energy: -129.680
where: short stacking energy: -69.295
Base-Backbone interact. energy: -0.040
local terms energy: -69.699400
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -15.075
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: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -214.936203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.936203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.936203 (E_RNA)
where:
Base-Base interactions energy: -134.206
where: short stacking energy: -71.856
Base-Backbone interact. energy: -0.014
local terms energy: -80.716062
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -194.268443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.268443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.268443 (E_RNA)
where:
Base-Base interactions energy: -125.361
where: short stacking energy: -60.388
Base-Backbone interact. energy: -0.124
local terms energy: -68.783623
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -176.573943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.573943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.573943 (E_RNA)
where:
Base-Base interactions energy: -112.759
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.010
local terms energy: -63.804085
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -12.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -163.018566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.018566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.018566 (E_RNA)
where:
Base-Base interactions energy: -102.938
where: short stacking energy: -47.387
Base-Backbone interact. energy: -0.048
local terms energy: -60.032320
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -7.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -93.328860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.328860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.328860 (E_RNA)
where:
Base-Base interactions energy: -50.432
where: short stacking energy: -30.250
Base-Backbone interact. energy: 0.836
local terms energy: -43.733168
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -5.590
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: 1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -85.774253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.774253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.774253 (E_RNA)
where:
Base-Base interactions energy: -33.766
where: short stacking energy: -28.636
Base-Backbone interact. energy: -0.346
local terms energy: -51.661809
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -225.122291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.122291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.122291 (E_RNA)
where:
Base-Base interactions energy: -145.694
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.002
local terms energy: -79.425698
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -18.701
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: 2, replica: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -229.211487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.211487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.211487 (E_RNA)
where:
Base-Base interactions energy: -146.964
where: short stacking energy: -78.856
Base-Backbone interact. energy: 0.059
local terms energy: -82.306401
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -221.910051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.910051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.910051 (E_RNA)
where:
Base-Base interactions energy: -154.094
where: short stacking energy: -83.139
Base-Backbone interact. energy: -0.001
local terms energy: -67.814309
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -202.645480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.645480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645480 (E_RNA)
where:
Base-Base interactions energy: -135.234
where: short stacking energy: -58.830
Base-Backbone interact. energy: 0.438
local terms energy: -67.849844
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -14.103
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: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -203.825769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.825769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.825769 (E_RNA)
where:
Base-Base interactions energy: -137.985
where: short stacking energy: -68.017
Base-Backbone interact. energy: -0.350
local terms energy: -65.491506
where:
bonds (distance) C4'-P energy: -8.086
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -201.746138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.746138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.746138 (E_RNA)
where:
Base-Base interactions energy: -133.415
where: short stacking energy: -69.279
Base-Backbone interact. energy: -0.057
local terms energy: -68.274959
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -18.121
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: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -188.389993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.389993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.389993 (E_RNA)
where:
Base-Base interactions energy: -116.410
where: short stacking energy: -67.507
Base-Backbone interact. energy: -0.004
local terms energy: -71.976098
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -10.385
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: 8, replica: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -156.027539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.027539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.027539 (E_RNA)
where:
Base-Base interactions energy: -103.167
where: short stacking energy: -46.944
Base-Backbone interact. energy: -0.069
local terms energy: -52.792192
where:
bonds (distance) C4'-P energy: -3.785
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -97.191745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.191745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.191745 (E_RNA)
where:
Base-Base interactions energy: -45.836
where: short stacking energy: -43.541
Base-Backbone interact. energy: -0.136
local terms energy: -51.219976
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -9.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -88.211282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.211282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.211282 (E_RNA)
where:
Base-Base interactions energy: -42.110
where: short stacking energy: -30.923
Base-Backbone interact. energy: -1.120
local terms energy: -44.982050
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -224.566268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.566268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.566268 (E_RNA)
where:
Base-Base interactions energy: -153.076
where: short stacking energy: -70.653
Base-Backbone interact. energy: -0.039
local terms energy: -71.451233
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -221.690798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.690798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.690798 (E_RNA)
where:
Base-Base interactions energy: -144.590
where: short stacking energy: -76.103
Base-Backbone interact. energy: -0.196
local terms energy: -76.905473
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -232.382151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.382151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.382151 (E_RNA)
where:
Base-Base interactions energy: -155.197
where: short stacking energy: -78.403
Base-Backbone interact. energy: -0.379
local terms energy: -76.806430
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -21.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -224.734808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.734808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.734808 (E_RNA)
where:
Base-Base interactions energy: -148.646
where: short stacking energy: -70.399
Base-Backbone interact. energy: 0.026
local terms energy: -76.115150
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -209.457965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.457965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.457965 (E_RNA)
where:
Base-Base interactions energy: -135.795
where: short stacking energy: -64.440
Base-Backbone interact. energy: -0.176
local terms energy: -73.487098
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -18.530
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: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -207.283059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.283059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.283059 (E_RNA)
where:
Base-Base interactions energy: -127.392
where: short stacking energy: -67.964
Base-Backbone interact. energy: -0.354
local terms energy: -79.537794
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -17.676
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: 65
Temperature: 1.200000
Total energy: -169.609378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.609378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.609378 (E_RNA)
where:
Base-Base interactions energy: -111.248
where: short stacking energy: -39.135
Base-Backbone interact. energy: -0.601
local terms energy: -57.760383
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -176.896209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.896209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.896209 (E_RNA)
where:
Base-Base interactions energy: -114.450
where: short stacking energy: -58.891
Base-Backbone interact. energy: -0.069
local terms energy: -62.377840
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -15.349
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: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -92.444754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.444754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.444754 (E_RNA)
where:
Base-Base interactions energy: -39.590
where: short stacking energy: -39.590
Base-Backbone interact. energy: -0.089
local terms energy: -52.765942
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -10.121
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -9.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -84.594727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.594727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.594727 (E_RNA)
where:
Base-Base interactions energy: -38.805
where: short stacking energy: -32.642
Base-Backbone interact. energy: -0.045
local terms energy: -45.745004
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -2.976
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -225.492756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.492756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.492756 (E_RNA)
where:
Base-Base interactions energy: -156.088
where: short stacking energy: -77.815
Base-Backbone interact. energy: -0.085
local terms energy: -69.320287
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -230.824420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.824420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.824420 (E_RNA)
where:
Base-Base interactions energy: -152.360
where: short stacking energy: -77.574
Base-Backbone interact. energy: -1.251
local terms energy: -77.213575
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -20.630
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: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -209.586925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.586925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.586925 (E_RNA)
where:
Base-Base interactions energy: -136.635
where: short stacking energy: -70.168
Base-Backbone interact. energy: -0.086
local terms energy: -72.865810
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -11.249
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: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -217.896553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.896553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.896553 (E_RNA)
where:
Base-Base interactions energy: -147.395
where: short stacking energy: -73.720
Base-Backbone interact. energy: -0.032
local terms energy: -70.469662
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -217.468759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.468759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.468759 (E_RNA)
where:
Base-Base interactions energy: -143.687
where: short stacking energy: -71.007
Base-Backbone interact. energy: -0.001
local terms energy: -73.780661
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -22.083
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: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -188.378337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.378337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.378337 (E_RNA)
where:
Base-Base interactions energy: -124.741
where: short stacking energy: -73.960
Base-Backbone interact. energy: 0.427
local terms energy: -64.064817
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -20.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -172.310614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.310614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.310614 (E_RNA)
where:
Base-Base interactions energy: -113.310
where: short stacking energy: -45.687
Base-Backbone interact. energy: -0.008
local terms energy: -58.992514
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -10.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -160.326934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.326934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.326934 (E_RNA)
where:
Base-Base interactions energy: -102.199
where: short stacking energy: -43.000
Base-Backbone interact. energy: -0.248
local terms energy: -57.880574
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -102.211728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.211728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.211728 (E_RNA)
where:
Base-Base interactions energy: -43.915
where: short stacking energy: -37.768
Base-Backbone interact. energy: -0.110
local terms energy: -58.186929
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -90.528327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.528327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.528327 (E_RNA)
where:
Base-Base interactions energy: -46.431
where: short stacking energy: -46.431
Base-Backbone interact. energy: -0.178
local terms energy: -43.919139
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -7.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -223.067835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.067835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.067835 (E_RNA)
where:
Base-Base interactions energy: -146.978
where: short stacking energy: -74.143
Base-Backbone interact. energy: -0.080
local terms energy: -76.009308
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -229.018039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.018039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.018039 (E_RNA)
where:
Base-Base interactions energy: -154.722
where: short stacking energy: -77.470
Base-Backbone interact. energy: -0.005
local terms energy: -74.291576
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -20.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -221.004588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.004588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.004588 (E_RNA)
where:
Base-Base interactions energy: -149.748
where: short stacking energy: -72.720
Base-Backbone interact. energy: -0.020
local terms energy: -71.236641
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -17.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -198.598198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.598198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.598198 (E_RNA)
where:
Base-Base interactions energy: -126.096
where: short stacking energy: -65.689
Base-Backbone interact. energy: -0.001
local terms energy: -72.501317
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -207.359963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.359963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.359963 (E_RNA)
where:
Base-Base interactions energy: -133.212
where: short stacking energy: -60.862
Base-Backbone interact. energy: -0.273
local terms energy: -73.875287
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -14.628
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: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -184.340581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.340581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.340581 (E_RNA)
where:
Base-Base interactions energy: -115.597
where: short stacking energy: -66.041
Base-Backbone interact. energy: -0.167
local terms energy: -68.576753
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -174.197316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.197316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.197316 (E_RNA)
where:
Base-Base interactions energy: -107.367
where: short stacking energy: -54.775
Base-Backbone interact. energy: -0.007
local terms energy: -66.823359
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -11.374
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: 8, replica: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -178.467884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.467884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.467884 (E_RNA)
where:
Base-Base interactions energy: -116.815
where: short stacking energy: -65.734
Base-Backbone interact. energy: -0.010
local terms energy: -61.643229
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -89.062318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.062318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.062318 (E_RNA)
where:
Base-Base interactions energy: -37.280
where: short stacking energy: -37.280
Base-Backbone interact. energy: -0.128
local terms energy: -51.654138
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -88.927512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.927512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.927512 (E_RNA)
where:
Base-Base interactions energy: -34.277
where: short stacking energy: -32.133
Base-Backbone interact. energy: 0.454
local terms energy: -55.105136
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -2.334
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: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -235.929561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.929561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.929561 (E_RNA)
where:
Base-Base interactions energy: -160.462
where: short stacking energy: -80.857
Base-Backbone interact. energy: -0.592
local terms energy: -74.876481
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -19.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -228.847808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.847808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.847808 (E_RNA)
where:
Base-Base interactions energy: -155.896
where: short stacking energy: -79.355
Base-Backbone interact. energy: -1.059
local terms energy: -71.893555
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -214.714945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.714945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.714945 (E_RNA)
where:
Base-Base interactions energy: -140.225
where: short stacking energy: -75.047
Base-Backbone interact. energy: -0.625
local terms energy: -73.864921
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -19.456
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: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -211.810818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.810818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.810818 (E_RNA)
where:
Base-Base interactions energy: -130.302
where: short stacking energy: -64.297
Base-Backbone interact. energy: -0.015
local terms energy: -81.493409
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -202.416063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.416063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.416063 (E_RNA)
where:
Base-Base interactions energy: -135.608
where: short stacking energy: -69.892
Base-Backbone interact. energy: -0.047
local terms energy: -66.760970
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -172.993144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.993144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.993144 (E_RNA)
where:
Base-Base interactions energy: -107.966
where: short stacking energy: -49.717
Base-Backbone interact. energy: -0.091
local terms energy: -64.936314
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -10.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -170.989402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.989402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.989402 (E_RNA)
where:
Base-Base interactions energy: -99.829
where: short stacking energy: -52.113
Base-Backbone interact. energy: -0.103
local terms energy: -71.057819
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -10.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -145.778755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.778755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.778755 (E_RNA)
where:
Base-Base interactions energy: -85.718
where: short stacking energy: -50.091
Base-Backbone interact. energy: -0.103
local terms energy: -59.957823
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -92.905382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.905382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.905382 (E_RNA)
where:
Base-Base interactions energy: -38.014
where: short stacking energy: -38.014
Base-Backbone interact. energy: -0.216
local terms energy: -54.675950
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -9.559
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: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -83.118280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.118280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.118280 (E_RNA)
where:
Base-Base interactions energy: -36.296
where: short stacking energy: -28.617
Base-Backbone interact. energy: -0.741
local terms energy: -46.081165
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -6.503
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -229.811386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.811386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.811386 (E_RNA)
where:
Base-Base interactions energy: -148.436
where: short stacking energy: -73.379
Base-Backbone interact. energy: -0.816
local terms energy: -80.558541
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -17.834
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: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -230.548378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.548378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.548378 (E_RNA)
where:
Base-Base interactions energy: -151.958
where: short stacking energy: -79.985
Base-Backbone interact. energy: -0.071
local terms energy: -78.518682
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -22.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -202.938198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.938198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.938198 (E_RNA)
where:
Base-Base interactions energy: -131.969
where: short stacking energy: -68.037
Base-Backbone interact. energy: -0.032
local terms energy: -70.936511
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -216.516991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.516991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.516991 (E_RNA)
where:
Base-Base interactions energy: -146.322
where: short stacking energy: -76.379
Base-Backbone interact. energy: -0.016
local terms energy: -70.178888
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -215.882828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.882828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.882828 (E_RNA)
where:
Base-Base interactions energy: -148.181
where: short stacking energy: -74.753
Base-Backbone interact. energy: -0.365
local terms energy: -67.336571
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -10.135
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -181.733464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.733464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.733464 (E_RNA)
where:
Base-Base interactions energy: -115.393
where: short stacking energy: -58.031
Base-Backbone interact. energy: -0.219
local terms energy: -66.122294
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -181.542575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.542575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.542575 (E_RNA)
where:
Base-Base interactions energy: -120.365
where: short stacking energy: -62.552
Base-Backbone interact. energy: -0.281
local terms energy: -60.896883
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -169.828314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.828314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.828314 (E_RNA)
where:
Base-Base interactions energy: -105.361
where: short stacking energy: -51.748
Base-Backbone interact. energy: -0.070
local terms energy: -64.396887
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -8.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -110.558643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.558643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.558643 (E_RNA)
where:
Base-Base interactions energy: -58.843
where: short stacking energy: -43.319
Base-Backbone interact. energy: -1.033
local terms energy: -50.682303
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -8.222
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -9.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -92.545250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.545250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.545250 (E_RNA)
where:
Base-Base interactions energy: -48.694
where: short stacking energy: -29.435
Base-Backbone interact. energy: 0.915
local terms energy: -44.766246
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -2.104
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -238.645154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.645154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.645154 (E_RNA)
where:
Base-Base interactions energy: -160.408
where: short stacking energy: -82.133
Base-Backbone interact. energy: -0.315
local terms energy: -77.921809
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -21.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -227.733801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.733801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.733801 (E_RNA)
where:
Base-Base interactions energy: -152.005
where: short stacking energy: -78.905
Base-Backbone interact. energy: -0.008
local terms energy: -75.720864
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -225.985016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.985016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.985016 (E_RNA)
where:
Base-Base interactions energy: -147.014
where: short stacking energy: -78.003
Base-Backbone interact. energy: -0.079
local terms energy: -78.891292
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -23.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -209.037553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.037553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.037553 (E_RNA)
where:
Base-Base interactions energy: -139.479
where: short stacking energy: -63.645
Base-Backbone interact. energy: -0.076
local terms energy: -69.482343
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -192.710312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.710312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.710312 (E_RNA)
where:
Base-Base interactions energy: -123.657
where: short stacking energy: -68.485
Base-Backbone interact. energy: -0.110
local terms energy: -68.942995
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -9.654
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: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -196.867514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.867514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.867514 (E_RNA)
where:
Base-Base interactions energy: -129.661
where: short stacking energy: -64.826
Base-Backbone interact. energy: -0.014
local terms energy: -67.192599
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -165.126494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.126494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.126494 (E_RNA)
where:
Base-Base interactions energy: -101.138
where: short stacking energy: -45.761
Base-Backbone interact. energy: -0.080
local terms energy: -63.907937
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -9.028
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: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -171.268816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.268816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.268816 (E_RNA)
where:
Base-Base interactions energy: -114.288
where: short stacking energy: -54.613
Base-Backbone interact. energy: -0.008
local terms energy: -56.973071
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -83.061691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.061691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.061691 (E_RNA)
where:
Base-Base interactions energy: -35.320
where: short stacking energy: -32.158
Base-Backbone interact. energy: -0.068
local terms energy: -47.674219
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -5.246
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -6.833
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: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -87.158869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.158869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.158869 (E_RNA)
where:
Base-Base interactions energy: -36.642
where: short stacking energy: -36.642
Base-Backbone interact. energy: -0.138
local terms energy: -50.378859
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -9.502
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -235.565605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.565605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.565605 (E_RNA)
where:
Base-Base interactions energy: -159.231
where: short stacking energy: -77.781
Base-Backbone interact. energy: -0.290
local terms energy: -76.044577
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -23.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -222.923254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.923254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.923254 (E_RNA)
where:
Base-Base interactions energy: -157.161
where: short stacking energy: -79.788
Base-Backbone interact. energy: -0.014
local terms energy: -65.749196
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -20.451
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: 3, replica: 7
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -225.394809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.394809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.394809 (E_RNA)
where:
Base-Base interactions energy: -152.335
where: short stacking energy: -81.852
Base-Backbone interact. energy: -0.738
local terms energy: -72.322158
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -22.269
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: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -208.207015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.207015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.207015 (E_RNA)
where:
Base-Base interactions energy: -135.936
where: short stacking energy: -65.903
Base-Backbone interact. energy: -0.001
local terms energy: -72.270768
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -185.420118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.420118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.420118 (E_RNA)
where:
Base-Base interactions energy: -109.963
where: short stacking energy: -57.243
Base-Backbone interact. energy: -0.571
local terms energy: -74.885283
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -206.976151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.976151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.976151 (E_RNA)
where:
Base-Base interactions energy: -140.313
where: short stacking energy: -65.874
Base-Backbone interact. energy: -0.304
local terms energy: -66.359343
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -180.952961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.952961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.952961 (E_RNA)
where:
Base-Base interactions energy: -111.264
where: short stacking energy: -55.186
Base-Backbone interact. energy: -0.135
local terms energy: -69.554646
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -16.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -169.004765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.004765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.004765 (E_RNA)
where:
Base-Base interactions energy: -112.554
where: short stacking energy: -51.913
Base-Backbone interact. energy: -0.050
local terms energy: -56.400449
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -10.761
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: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -97.169898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.169898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.169898 (E_RNA)
where:
Base-Base interactions energy: -44.084
where: short stacking energy: -44.084
Base-Backbone interact. energy: -0.002
local terms energy: -53.083590
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -3.029
tors. eta vs tors. theta energy: -7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -81.133345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.133345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.133345 (E_RNA)
where:
Base-Base interactions energy: -35.154
where: short stacking energy: -28.519
Base-Backbone interact. energy: -0.260
local terms energy: -45.719421
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -236.408621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.408621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.408621 (E_RNA)
where:
Base-Base interactions energy: -151.719
where: short stacking energy: -75.811
Base-Backbone interact. energy: -0.681
local terms energy: -84.008725
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -21.647
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: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -229.838111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.838111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.838111 (E_RNA)
where:
Base-Base interactions energy: -147.047
where: short stacking energy: -78.815
Base-Backbone interact. energy: -0.060
local terms energy: -82.730206
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -22.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -226.559081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.559081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.559081 (E_RNA)
where:
Base-Base interactions energy: -150.090
where: short stacking energy: -71.975
Base-Backbone interact. energy: -0.024
local terms energy: -76.444867
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -215.302450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.302450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.302450 (E_RNA)
where:
Base-Base interactions energy: -140.164
where: short stacking energy: -66.162
Base-Backbone interact. energy: -0.003
local terms energy: -75.136068
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -19.231
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: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -210.898719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.898719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.898719 (E_RNA)
where:
Base-Base interactions energy: -139.279
where: short stacking energy: -71.409
Base-Backbone interact. energy: -0.748
local terms energy: -70.871590
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -211.302146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.302146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.302146 (E_RNA)
where:
Base-Base interactions energy: -144.204
where: short stacking energy: -69.872
Base-Backbone interact. energy: -0.077
local terms energy: -67.020821
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -177.107506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.107506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.107506 (E_RNA)
where:
Base-Base interactions energy: -113.805
where: short stacking energy: -55.084
Base-Backbone interact. energy: -0.223
local terms energy: -63.079644
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -177.037493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.037493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.037493 (E_RNA)
where:
Base-Base interactions energy: -115.313
where: short stacking energy: -57.259
Base-Backbone interact. energy: -0.916
local terms energy: -60.808156
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -13.192
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: 72
Temperature: 1.300000
Total energy: -97.020739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.020739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.020739 (E_RNA)
where:
Base-Base interactions energy: -45.882
where: short stacking energy: -45.882
Base-Backbone interact. energy: -0.044
local terms energy: -51.094843
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -5.851
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: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -79.698981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.698981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.698981 (E_RNA)
where:
Base-Base interactions energy: -26.176
where: short stacking energy: -25.960
Base-Backbone interact. energy: -0.029
local terms energy: -53.493979
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -237.684160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.684160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.684160 (E_RNA)
where:
Base-Base interactions energy: -159.300
where: short stacking energy: -79.708
Base-Backbone interact. energy: -0.642
local terms energy: -77.742844
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -226.896526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.896526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.896526 (E_RNA)
where:
Base-Base interactions energy: -149.591
where: short stacking energy: -82.145
Base-Backbone interact. energy: -0.255
local terms energy: -77.050868
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -205.038549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.038549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.038549 (E_RNA)
where:
Base-Base interactions energy: -135.557
where: short stacking energy: -62.047
Base-Backbone interact. energy: -0.017
local terms energy: -69.465279
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -215.475584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.475584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.475584 (E_RNA)
where:
Base-Base interactions energy: -140.515
where: short stacking energy: -71.674
Base-Backbone interact. energy: -0.897
local terms energy: -74.063173
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -189.536702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.536702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.536702 (E_RNA)
where:
Base-Base interactions energy: -127.420
where: short stacking energy: -56.106
Base-Backbone interact. energy: -0.068
local terms energy: -62.048552
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -12.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -205.285372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.285372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.285372 (E_RNA)
where:
Base-Base interactions energy: -133.644
where: short stacking energy: -66.802
Base-Backbone interact. energy: -0.043
local terms energy: -71.597993
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -183.617393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.617393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.617393 (E_RNA)
where:
Base-Base interactions energy: -123.429
where: short stacking energy: -61.947
Base-Backbone interact. energy: -0.103
local terms energy: -60.084740
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -7.715
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -171.676718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.676718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.676718 (E_RNA)
where:
Base-Base interactions energy: -104.395
where: short stacking energy: -46.269
Base-Backbone interact. energy: -0.192
local terms energy: -67.089326
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -9.963
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: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -91.707745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.707745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.707745 (E_RNA)
where:
Base-Base interactions energy: -37.318
where: short stacking energy: -34.527
Base-Backbone interact. energy: -0.513
local terms energy: -53.876555
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -4.408
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: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -75.887484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.887484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.887484 (E_RNA)
where:
Base-Base interactions energy: -31.958
where: short stacking energy: -28.856
Base-Backbone interact. energy: -0.109
local terms energy: -43.820412
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -3.995
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: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -235.217148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.217148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.217148 (E_RNA)
where:
Base-Base interactions energy: -151.816
where: short stacking energy: -79.602
Base-Backbone interact. energy: -0.917
local terms energy: -82.484507
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -20.572
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: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -216.359318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.359318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.359318 (E_RNA)
where:
Base-Base interactions energy: -141.130
where: short stacking energy: -70.268
Base-Backbone interact. energy: -0.852
local terms energy: -74.376885
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -220.296847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.296847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.296847 (E_RNA)
where:
Base-Base interactions energy: -146.591
where: short stacking energy: -75.588
Base-Backbone interact. energy: -0.263
local terms energy: -73.443074
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -20.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -225.133686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.133686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.133686 (E_RNA)
where:
Base-Base interactions energy: -142.146
where: short stacking energy: -73.507
Base-Backbone interact. energy: -1.425
local terms energy: -81.562979
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -22.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -194.493981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.493981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.493981 (E_RNA)
where:
Base-Base interactions energy: -125.556
where: short stacking energy: -67.191
Base-Backbone interact. energy: -0.067
local terms energy: -68.870934
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -10.942
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: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -184.908806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.908806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.908806 (E_RNA)
where:
Base-Base interactions energy: -115.684
where: short stacking energy: -57.671
Base-Backbone interact. energy: -0.004
local terms energy: -69.220728
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -15.359
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: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -184.360133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.360133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.360133 (E_RNA)
where:
Base-Base interactions energy: -115.267
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.004
local terms energy: -69.089335
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -8.422
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: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -172.893786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.893786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.893786 (E_RNA)
where:
Base-Base interactions energy: -106.202
where: short stacking energy: -55.326
Base-Backbone interact. energy: 0.457
local terms energy: -67.149410
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -92.104453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.104453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.104453 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -38.851
Base-Backbone interact. energy: -0.072
local terms energy: -52.363941
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -87.988783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.988783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.988783 (E_RNA)
where:
Base-Base interactions energy: -42.423
where: short stacking energy: -41.820
Base-Backbone interact. energy: -0.256
local terms energy: -45.309149
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -6.313
flat angles P-C4'-P energy: -2.709
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: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -238.805847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.805847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.805847 (E_RNA)
where:
Base-Base interactions energy: -155.436
where: short stacking energy: -84.307
Base-Backbone interact. energy: 1.174
local terms energy: -84.544447
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -22.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -219.912605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.912605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.912605 (E_RNA)
where:
Base-Base interactions energy: -142.585
where: short stacking energy: -70.937
Base-Backbone interact. energy: -0.050
local terms energy: -77.278099
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -210.995421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.995421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.995421 (E_RNA)
where:
Base-Base interactions energy: -134.256
where: short stacking energy: -70.769
Base-Backbone interact. energy: -0.159
local terms energy: -76.580564
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -17.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -214.765135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.765135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.765135 (E_RNA)
where:
Base-Base interactions energy: -140.305
where: short stacking energy: -72.301
Base-Backbone interact. energy: -0.450
local terms energy: -74.010985
where:
bonds (distance) C4'-P energy: -6.863
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -194.068906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.068906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.068906 (E_RNA)
where:
Base-Base interactions energy: -123.080
where: short stacking energy: -64.270
Base-Backbone interact. energy: -0.045
local terms energy: -70.943993
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -197.337731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.337731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.337731 (E_RNA)
where:
Base-Base interactions energy: -132.731
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.138
local terms energy: -64.469101
where:
bonds (distance) C4'-P energy: -6.725
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -173.522352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.522352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.522352 (E_RNA)
where:
Base-Base interactions energy: -117.742
where: short stacking energy: -57.306
Base-Backbone interact. energy: -0.816
local terms energy: -54.964122
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -13.962
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: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -176.072738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.072738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.072738 (E_RNA)
where:
Base-Base interactions energy: -110.825
where: short stacking energy: -55.369
Base-Backbone interact. energy: -0.103
local terms energy: -65.144779
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -99.706710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.706710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.706710 (E_RNA)
where:
Base-Base interactions energy: -45.351
where: short stacking energy: -44.708
Base-Backbone interact. energy: -0.007
local terms energy: -54.348638
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -10.808
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: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -85.008041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.008041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.008041 (E_RNA)
where:
Base-Base interactions energy: -43.034
where: short stacking energy: -31.479
Base-Backbone interact. energy: -0.109
local terms energy: -41.865670
where:
bonds (distance) C4'-P energy: -7.061
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -227.715515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.715515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.715515 (E_RNA)
where:
Base-Base interactions energy: -148.237
where: short stacking energy: -75.628
Base-Backbone interact. energy: -0.041
local terms energy: -79.438131
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -233.925574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.925574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.925574 (E_RNA)
where:
Base-Base interactions energy: -150.920
where: short stacking energy: -80.766
Base-Backbone interact. energy: -0.280
local terms energy: -82.725305
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -14.227
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: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -208.783896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.783896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.783896 (E_RNA)
where:
Base-Base interactions energy: -141.628
where: short stacking energy: -70.423
Base-Backbone interact. energy: -0.012
local terms energy: -67.144725
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -17.604
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: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -203.377268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.377268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.377268 (E_RNA)
where:
Base-Base interactions energy: -131.860
where: short stacking energy: -63.116
Base-Backbone interact. energy: -0.230
local terms energy: -71.287269
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -14.237
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: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -193.897733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.897733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.897733 (E_RNA)
where:
Base-Base interactions energy: -124.812
where: short stacking energy: -62.195
Base-Backbone interact. energy: -0.146
local terms energy: -68.939641
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -10.285
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: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -173.765354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.765354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.765354 (E_RNA)
where:
Base-Base interactions energy: -113.376
where: short stacking energy: -56.302
Base-Backbone interact. energy: -0.082
local terms energy: -60.307793
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -178.210295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.210295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.210295 (E_RNA)
where:
Base-Base interactions energy: -121.985
where: short stacking energy: -60.313
Base-Backbone interact. energy: -0.068
local terms energy: -56.156915
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -178.665609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.665609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.665609 (E_RNA)
where:
Base-Base interactions energy: -113.916
where: short stacking energy: -60.273
Base-Backbone interact. energy: -0.103
local terms energy: -64.646077
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -79.629144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.629144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.629144 (E_RNA)
where:
Base-Base interactions energy: -33.085
where: short stacking energy: -27.991
Base-Backbone interact. energy: -0.259
local terms energy: -46.284906
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -78.283340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.283340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.283340 (E_RNA)
where:
Base-Base interactions energy: -28.381
where: short stacking energy: -26.111
Base-Backbone interact. energy: -0.143
local terms energy: -49.758516
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -7.300
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -222.317117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.317117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.317117 (E_RNA)
where:
Base-Base interactions energy: -148.540
where: short stacking energy: -75.903
Base-Backbone interact. energy: -0.122
local terms energy: -73.655376
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -230.791320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.791320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.791320 (E_RNA)
where:
Base-Base interactions energy: -155.528
where: short stacking energy: -74.093
Base-Backbone interact. energy: -0.602
local terms energy: -74.661447
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -222.089621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.089621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.089621 (E_RNA)
where:
Base-Base interactions energy: -141.116
where: short stacking energy: -75.656
Base-Backbone interact. energy: -0.299
local terms energy: -80.674916
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -212.289705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.289705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.289705 (E_RNA)
where:
Base-Base interactions energy: -141.045
where: short stacking energy: -66.662
Base-Backbone interact. energy: -0.287
local terms energy: -70.958019
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -210.365542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.365542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.365542 (E_RNA)
where:
Base-Base interactions energy: -137.206
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.005
local terms energy: -73.154825
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -175.371298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.371298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.371298 (E_RNA)
where:
Base-Base interactions energy: -111.185
where: short stacking energy: -58.609
Base-Backbone interact. energy: 0.020
local terms energy: -64.206348
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -179.009468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.009468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.009468 (E_RNA)
where:
Base-Base interactions energy: -115.173
where: short stacking energy: -53.926
Base-Backbone interact. energy: -0.168
local terms energy: -63.668658
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -13.401
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: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -167.994684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.994684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.994684 (E_RNA)
where:
Base-Base interactions energy: -108.703
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.479
local terms energy: -58.813128
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -5.705
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -91.481924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.481924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.481924 (E_RNA)
where:
Base-Base interactions energy: -42.106
where: short stacking energy: -42.106
Base-Backbone interact. energy: -0.742
local terms energy: -48.633401
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -8.783
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -91.067648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.067648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.067648 (E_RNA)
where:
Base-Base interactions energy: -42.158
where: short stacking energy: -41.995
Base-Backbone interact. energy: -0.002
local terms energy: -48.908121
where:
bonds (distance) C4'-P energy: -8.486
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -236.724462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.724462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.724462 (E_RNA)
where:
Base-Base interactions energy: -152.140
where: short stacking energy: -75.747
Base-Backbone interact. energy: -0.042
local terms energy: -84.541823
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -23.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -216.743537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.743537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.743537 (E_RNA)
where:
Base-Base interactions energy: -148.629
where: short stacking energy: -77.119
Base-Backbone interact. energy: -0.134
local terms energy: -67.980372
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -217.530301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.530301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.530301 (E_RNA)
where:
Base-Base interactions energy: -144.982
where: short stacking energy: -67.461
Base-Backbone interact. energy: -0.002
local terms energy: -72.545995
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -207.296792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.296792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.296792 (E_RNA)
where:
Base-Base interactions energy: -139.147
where: short stacking energy: -69.098
Base-Backbone interact. energy: -0.000
local terms energy: -68.149137
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -18.610
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: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -205.735653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.735653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.735653 (E_RNA)
where:
Base-Base interactions energy: -139.719
where: short stacking energy: -71.632
Base-Backbone interact. energy: -0.002
local terms energy: -66.014583
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -183.165773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.165773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.165773 (E_RNA)
where:
Base-Base interactions energy: -121.197
where: short stacking energy: -56.123
Base-Backbone interact. energy: -0.033
local terms energy: -61.935401
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -14.690
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: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -166.629549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.629549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.629549 (E_RNA)
where:
Base-Base interactions energy: -106.370
where: short stacking energy: -43.503
Base-Backbone interact. energy: -0.469
local terms energy: -59.790941
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -2.424
tors. eta vs tors. theta energy: -15.223
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: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -188.009654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.009654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.009654 (E_RNA)
where:
Base-Base interactions energy: -127.986
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.125
local terms energy: -59.898425
where:
bonds (distance) C4'-P energy: -6.932
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -13.755
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: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -92.451858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.451858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.451858 (E_RNA)
where:
Base-Base interactions energy: -49.756
where: short stacking energy: -37.107
Base-Backbone interact. energy: 0.295
local terms energy: -42.990562
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -9.483
flat angles P-C4'-P energy: -4.415
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: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -89.347116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.347116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.347116 (E_RNA)
where:
Base-Base interactions energy: -36.335
where: short stacking energy: -36.335
Base-Backbone interact. energy: -0.066
local terms energy: -52.945716
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -7.853
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: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -234.943237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.943237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.943237 (E_RNA)
where:
Base-Base interactions energy: -162.571
where: short stacking energy: -82.151
Base-Backbone interact. energy: -0.124
local terms energy: -72.248846
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -11.223
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -18.812
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: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -226.779959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.779959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.779959 (E_RNA)
where:
Base-Base interactions energy: -152.419
where: short stacking energy: -79.137
Base-Backbone interact. energy: -0.356
local terms energy: -74.004390
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -209.207854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.207854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.207854 (E_RNA)
where:
Base-Base interactions energy: -132.818
where: short stacking energy: -67.701
Base-Backbone interact. energy: -1.071
local terms energy: -75.319547
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -19.783
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: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -224.366963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.366963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.366963 (E_RNA)
where:
Base-Base interactions energy: -147.241
where: short stacking energy: -76.757
Base-Backbone interact. energy: 0.456
local terms energy: -77.582456
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -10.893
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: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -172.945628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.945628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.945628 (E_RNA)
where:
Base-Base interactions energy: -109.181
where: short stacking energy: -56.676
Base-Backbone interact. energy: -0.097
local terms energy: -63.667114
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -13.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -181.867444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.867444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.867444 (E_RNA)
where:
Base-Base interactions energy: -121.445
where: short stacking energy: -56.630
Base-Backbone interact. energy: -0.158
local terms energy: -60.264531
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -14.779
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: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -181.501284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.501284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.501284 (E_RNA)
where:
Base-Base interactions energy: -119.822
where: short stacking energy: -53.963
Base-Backbone interact. energy: -0.051
local terms energy: -61.627805
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -11.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -173.370023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.370023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.370023 (E_RNA)
where:
Base-Base interactions energy: -110.217
where: short stacking energy: -52.888
Base-Backbone interact. energy: -0.003
local terms energy: -63.150383
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -88.630203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.630203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.630203 (E_RNA)
where:
Base-Base interactions energy: -35.022
where: short stacking energy: -26.874
Base-Backbone interact. energy: -0.309
local terms energy: -53.299223
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -6.623
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: 79
Temperature: 1.350000
Total energy: -78.732817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.732817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.732817 (E_RNA)
where:
Base-Base interactions energy: -32.285
where: short stacking energy: -32.285
Base-Backbone interact. energy: -0.180
local terms energy: -46.267456
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -8.532
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -243.097133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.097133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.097133 (E_RNA)
where:
Base-Base interactions energy: -161.710
where: short stacking energy: -78.362
Base-Backbone interact. energy: -0.002
local terms energy: -81.384779
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -218.532323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.532323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.532323 (E_RNA)
where:
Base-Base interactions energy: -148.600
where: short stacking energy: -75.882
Base-Backbone interact. energy: -0.290
local terms energy: -69.642169
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -210.268493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.268493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.268493 (E_RNA)
where:
Base-Base interactions energy: -141.631
where: short stacking energy: -70.416
Base-Backbone interact. energy: -0.034
local terms energy: -68.603771
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -202.218314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.218314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.218314 (E_RNA)
where:
Base-Base interactions energy: -129.458
where: short stacking energy: -68.536
Base-Backbone interact. energy: -0.136
local terms energy: -72.624266
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -187.215304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.215304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.215304 (E_RNA)
where:
Base-Base interactions energy: -123.668
where: short stacking energy: -50.884
Base-Backbone interact. energy: -0.179
local terms energy: -63.368319
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -10.881
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: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -192.194074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.194074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.194074 (E_RNA)
where:
Base-Base interactions energy: -123.119
where: short stacking energy: -66.054
Base-Backbone interact. energy: -0.104
local terms energy: -68.971212
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -195.544845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.544845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.544845 (E_RNA)
where:
Base-Base interactions energy: -133.802
where: short stacking energy: -60.624
Base-Backbone interact. energy: -0.182
local terms energy: -61.561045
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -11.869
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: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -178.567420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.567420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.567420 (E_RNA)
where:
Base-Base interactions energy: -119.591
where: short stacking energy: -60.672
Base-Backbone interact. energy: 0.252
local terms energy: -59.227632
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -2.275
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -85.512991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.512991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.512991 (E_RNA)
where:
Base-Base interactions energy: -35.879
where: short stacking energy: -30.288
Base-Backbone interact. energy: -0.953
local terms energy: -48.680570
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -94.558920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.558920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.558920 (E_RNA)
where:
Base-Base interactions energy: -54.431
where: short stacking energy: -45.052
Base-Backbone interact. energy: -0.049
local terms energy: -40.078349
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -3.281
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -241.486099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.486099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.486099 (E_RNA)
where:
Base-Base interactions energy: -160.396
where: short stacking energy: -83.145
Base-Backbone interact. energy: -0.282
local terms energy: -80.808323
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -226.594655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.594655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.594655 (E_RNA)
where:
Base-Base interactions energy: -149.273
where: short stacking energy: -79.939
Base-Backbone interact. energy: -1.355
local terms energy: -75.966288
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -6.630
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: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -216.626018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.626018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.626018 (E_RNA)
where:
Base-Base interactions energy: -139.897
where: short stacking energy: -67.769
Base-Backbone interact. energy: -0.372
local terms energy: -76.357587
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -201.832776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.832776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.832776 (E_RNA)
where:
Base-Base interactions energy: -134.719
where: short stacking energy: -64.359
Base-Backbone interact. energy: -0.073
local terms energy: -67.041428
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -201.880496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.880496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.880496 (E_RNA)
where:
Base-Base interactions energy: -126.294
where: short stacking energy: -64.100
Base-Backbone interact. energy: -1.792
local terms energy: -73.794940
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -18.943
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: 81
Temperature: 1.150000
Total energy: -194.348681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.348681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.348681 (E_RNA)
where:
Base-Base interactions energy: -127.408
where: short stacking energy: -60.131
Base-Backbone interact. energy: -0.059
local terms energy: -66.882044
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -1.763
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -175.839473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.839473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.839473 (E_RNA)
where:
Base-Base interactions energy: -112.964
where: short stacking energy: -57.776
Base-Backbone interact. energy: -0.077
local terms energy: -62.799097
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -165.797293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.797293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.797293 (E_RNA)
where:
Base-Base interactions energy: -108.447
where: short stacking energy: -53.342
Base-Backbone interact. energy: -0.628
local terms energy: -56.722303
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -108.787685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.787685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.787685 (E_RNA)
where:
Base-Base interactions energy: -43.780
where: short stacking energy: -43.780
Base-Backbone interact. energy: -0.062
local terms energy: -64.945757
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -83.346444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.346444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.346444 (E_RNA)
where:
Base-Base interactions energy: -33.780
where: short stacking energy: -28.796
Base-Backbone interact. energy: -0.219
local terms energy: -49.347838
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -239.995663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.995663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.995663 (E_RNA)
where:
Base-Base interactions energy: -163.984
where: short stacking energy: -80.543
Base-Backbone interact. energy: -0.048
local terms energy: -75.963220
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -229.423479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.423479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.423479 (E_RNA)
where:
Base-Base interactions energy: -151.140
where: short stacking energy: -77.990
Base-Backbone interact. energy: -1.077
local terms energy: -77.206578
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -21.153
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: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -210.389416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.389416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.389416 (E_RNA)
where:
Base-Base interactions energy: -141.619
where: short stacking energy: -67.746
Base-Backbone interact. energy: -0.047
local terms energy: -68.723921
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -193.864807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.864807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.864807 (E_RNA)
where:
Base-Base interactions energy: -124.729
where: short stacking energy: -65.325
Base-Backbone interact. energy: -0.082
local terms energy: -69.054032
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -10.432
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: 82
Temperature: 1.100000
Total energy: -199.312934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.312934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.312934 (E_RNA)
where:
Base-Base interactions energy: -124.670
where: short stacking energy: -62.793
Base-Backbone interact. energy: -2.502
local terms energy: -72.140349
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -15.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -200.214752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.214752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.214752 (E_RNA)
where:
Base-Base interactions energy: -128.579
where: short stacking energy: -55.820
Base-Backbone interact. energy: -0.476
local terms energy: -71.159360
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -17.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -196.872574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.872574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.872574 (E_RNA)
where:
Base-Base interactions energy: -133.235
where: short stacking energy: -61.544
Base-Backbone interact. energy: -0.130
local terms energy: -63.507755
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -12.688
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: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -169.344749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.344749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.344749 (E_RNA)
where:
Base-Base interactions energy: -117.255
where: short stacking energy: -60.459
Base-Backbone interact. energy: -0.557
local terms energy: -51.532917
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -5.520
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: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -111.426087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.426087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.426087 (E_RNA)
where:
Base-Base interactions energy: -59.328
where: short stacking energy: -38.727
Base-Backbone interact. energy: -0.156
local terms energy: -51.942726
where:
bonds (distance) C4'-P energy: -8.755
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -7.069
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: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -90.241922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.241922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.241922 (E_RNA)
where:
Base-Base interactions energy: -40.937
where: short stacking energy: -33.235
Base-Backbone interact. energy: -0.254
local terms energy: -49.051331
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -239.738260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.738260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.738260 (E_RNA)
where:
Base-Base interactions energy: -157.249
where: short stacking energy: -85.651
Base-Backbone interact. energy: -0.010
local terms energy: -82.479983
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -21.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -224.600648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.600648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.600648 (E_RNA)
where:
Base-Base interactions energy: -145.860
where: short stacking energy: -75.008
Base-Backbone interact. energy: -0.008
local terms energy: -78.732810
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -216.620531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.620531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.620531 (E_RNA)
where:
Base-Base interactions energy: -141.329
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.012
local terms energy: -75.279401
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -17.351
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: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -190.627243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.627243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.627243 (E_RNA)
where:
Base-Base interactions energy: -123.196
where: short stacking energy: -68.220
Base-Backbone interact. energy: -0.636
local terms energy: -66.794894
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -17.157
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: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -188.398605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.398605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.398605 (E_RNA)
where:
Base-Base interactions energy: -126.321
where: short stacking energy: -69.380
Base-Backbone interact. energy: -0.616
local terms energy: -61.461894
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -196.396073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.396073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.396073 (E_RNA)
where:
Base-Base interactions energy: -130.179
where: short stacking energy: -54.691
Base-Backbone interact. energy: -0.475
local terms energy: -65.741789
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -8.357
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -192.876456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.876456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.876456 (E_RNA)
where:
Base-Base interactions energy: -132.696
where: short stacking energy: -58.140
Base-Backbone interact. energy: -0.131
local terms energy: -60.049398
where:
bonds (distance) C4'-P energy: -8.005
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -173.787578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.787578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.787578 (E_RNA)
where:
Base-Base interactions energy: -107.451
where: short stacking energy: -57.053
Base-Backbone interact. energy: -0.684
local terms energy: -65.652638
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -90.649058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.649058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.649058 (E_RNA)
where:
Base-Base interactions energy: -38.340
where: short stacking energy: -34.931
Base-Backbone interact. energy: -0.104
local terms energy: -52.204874
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -125.539314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.539314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.539314 (E_RNA)
where:
Base-Base interactions energy: -76.647
where: short stacking energy: -42.198
Base-Backbone interact. energy: -0.730
local terms energy: -48.162402
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -8.856
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -8.105
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: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -227.545192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.545192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.545192 (E_RNA)
where:
Base-Base interactions energy: -148.569
where: short stacking energy: -75.007
Base-Backbone interact. energy: -0.119
local terms energy: -78.857337
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -22.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -231.594138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.594138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.594138 (E_RNA)
where:
Base-Base interactions energy: -155.480
where: short stacking energy: -79.817
Base-Backbone interact. energy: -0.431
local terms energy: -75.682756
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -22.355
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: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -223.582654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.582654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.582654 (E_RNA)
where:
Base-Base interactions energy: -146.416
where: short stacking energy: -75.938
Base-Backbone interact. energy: -0.266
local terms energy: -76.901106
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -188.485999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.485999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.485999 (E_RNA)
where:
Base-Base interactions energy: -117.818
where: short stacking energy: -61.146
Base-Backbone interact. energy: -0.092
local terms energy: -70.575501
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -12.940
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: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -199.327288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.327288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.327288 (E_RNA)
where:
Base-Base interactions energy: -126.477
where: short stacking energy: -64.240
Base-Backbone interact. energy: -0.610
local terms energy: -72.240073
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -174.950942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.950942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.950942 (E_RNA)
where:
Base-Base interactions energy: -109.674
where: short stacking energy: -53.467
Base-Backbone interact. energy: -0.047
local terms energy: -65.229773
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -180.942368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.942368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.942368 (E_RNA)
where:
Base-Base interactions energy: -114.068
where: short stacking energy: -66.356
Base-Backbone interact. energy: -0.019
local terms energy: -66.854649
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -16.383
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: 84
Temperature: 1.250000
Total energy: -180.086997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.086997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.086997 (E_RNA)
where:
Base-Base interactions energy: -114.305
where: short stacking energy: -56.896
Base-Backbone interact. energy: -0.015
local terms energy: -65.767412
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -9.798
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: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -103.116535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.116535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.116535 (E_RNA)
where:
Base-Base interactions energy: -48.650
where: short stacking energy: -48.650
Base-Backbone interact. energy: -1.060
local terms energy: -53.406815
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -8.895
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: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -91.877725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.877725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.877725 (E_RNA)
where:
Base-Base interactions energy: -50.203
where: short stacking energy: -41.339
Base-Backbone interact. energy: -0.083
local terms energy: -41.591770
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -6.598
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -1.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -226.757656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.757656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.757656 (E_RNA)
where:
Base-Base interactions energy: -151.327
where: short stacking energy: -72.024
Base-Backbone interact. energy: -0.002
local terms energy: -75.428277
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -232.029736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.029736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.029736 (E_RNA)
where:
Base-Base interactions energy: -152.272
where: short stacking energy: -78.635
Base-Backbone interact. energy: -0.002
local terms energy: -79.755281
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -209.533763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.533763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.533763 (E_RNA)
where:
Base-Base interactions energy: -138.385
where: short stacking energy: -66.504
Base-Backbone interact. energy: -0.141
local terms energy: -71.007811
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -209.385474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.385474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.385474 (E_RNA)
where:
Base-Base interactions energy: -133.895
where: short stacking energy: -65.670
Base-Backbone interact. energy: -0.075
local terms energy: -75.415661
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -185.554617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.554617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.554617 (E_RNA)
where:
Base-Base interactions energy: -126.640
where: short stacking energy: -63.136
Base-Backbone interact. energy: -0.003
local terms energy: -58.912013
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -178.129536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.129536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.129536 (E_RNA)
where:
Base-Base interactions energy: -111.296
where: short stacking energy: -55.239
Base-Backbone interact. energy: -0.018
local terms energy: -66.815712
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -14.136
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: 85
Temperature: 1.200000
Total energy: -168.923585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.923585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.923585 (E_RNA)
where:
Base-Base interactions energy: -104.051
where: short stacking energy: -54.371
Base-Backbone interact. energy: -0.081
local terms energy: -64.791815
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -165.535544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.535544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.535544 (E_RNA)
where:
Base-Base interactions energy: -106.671
where: short stacking energy: -52.740
Base-Backbone interact. energy: -0.108
local terms energy: -58.755999
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -9.743
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: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -87.921141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.921141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.921141 (E_RNA)
where:
Base-Base interactions energy: -43.131
where: short stacking energy: -37.873
Base-Backbone interact. energy: -0.092
local terms energy: -44.698582
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -10.133
flat angles C4'-P-C4' energy: -8.616
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -85.606752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.606752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.606752 (E_RNA)
where:
Base-Base interactions energy: -37.880
where: short stacking energy: -37.880
Base-Backbone interact. energy: -0.098
local terms energy: -47.629108
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -0.753
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: 1, replica: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -239.117124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.117124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.117124 (E_RNA)
where:
Base-Base interactions energy: -158.750
where: short stacking energy: -78.649
Base-Backbone interact. energy: -0.000
local terms energy: -80.366457
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -23.610
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: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -225.953572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.953572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.953572 (E_RNA)
where:
Base-Base interactions energy: -155.641
where: short stacking energy: -80.383
Base-Backbone interact. energy: -0.006
local terms energy: -70.306081
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -10.611
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -19.429
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: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -208.539327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.539327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.539327 (E_RNA)
where:
Base-Base interactions energy: -135.087
where: short stacking energy: -74.597
Base-Backbone interact. energy: -0.068
local terms energy: -73.384302
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -207.159543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.159543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.159543 (E_RNA)
where:
Base-Base interactions energy: -138.455
where: short stacking energy: -68.928
Base-Backbone interact. energy: -0.124
local terms energy: -68.580038
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -16.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -212.910125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.910125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.910125 (E_RNA)
where:
Base-Base interactions energy: -142.555
where: short stacking energy: -73.050
Base-Backbone interact. energy: 0.572
local terms energy: -70.927774
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -179.145919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.145919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.145919 (E_RNA)
where:
Base-Base interactions energy: -116.388
where: short stacking energy: -65.721
Base-Backbone interact. energy: -0.617
local terms energy: -62.140546
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -180.224380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.224380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.224380 (E_RNA)
where:
Base-Base interactions energy: -110.303
where: short stacking energy: -56.254
Base-Backbone interact. energy: -0.102
local terms energy: -69.818911
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -10.908
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: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -188.491033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.491033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.491033 (E_RNA)
where:
Base-Base interactions energy: -118.295
where: short stacking energy: -63.303
Base-Backbone interact. energy: -0.744
local terms energy: -69.452569
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -10.198
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: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -87.211562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.211562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.211562 (E_RNA)
where:
Base-Base interactions energy: -34.789
where: short stacking energy: -24.701
Base-Backbone interact. energy: -0.285
local terms energy: -52.137926
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -9.754
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: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -82.985517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.985517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.985517 (E_RNA)
where:
Base-Base interactions energy: -39.628
where: short stacking energy: -39.628
Base-Backbone interact. energy: -0.356
local terms energy: -43.001165
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -7.506
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -224.272713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.272713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.272713 (E_RNA)
where:
Base-Base interactions energy: -154.411
where: short stacking energy: -75.807
Base-Backbone interact. energy: -0.002
local terms energy: -69.860002
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -10.441
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: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -215.616022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.616022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.616022 (E_RNA)
where:
Base-Base interactions energy: -136.650
where: short stacking energy: -70.840
Base-Backbone interact. energy: 0.876
local terms energy: -79.842694
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -12.325
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: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -214.926930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.926930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.926930 (E_RNA)
where:
Base-Base interactions energy: -140.153
where: short stacking energy: -70.893
Base-Backbone interact. energy: -0.132
local terms energy: -74.641530
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -211.768130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.768130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.768130 (E_RNA)
where:
Base-Base interactions energy: -142.167
where: short stacking energy: -67.295
Base-Backbone interact. energy: -0.395
local terms energy: -69.206097
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -206.963531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.963531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.963531 (E_RNA)
where:
Base-Base interactions energy: -138.620
where: short stacking energy: -68.491
Base-Backbone interact. energy: -0.084
local terms energy: -68.259711
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -8.075
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: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -190.222342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.222342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.222342 (E_RNA)
where:
Base-Base interactions energy: -123.348
where: short stacking energy: -68.052
Base-Backbone interact. energy: 2.012
local terms energy: -68.886503
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -195.482981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.482981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.482981 (E_RNA)
where:
Base-Base interactions energy: -131.232
where: short stacking energy: -65.527
Base-Backbone interact. energy: -0.578
local terms energy: -63.673632
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -9.822
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -11.196
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: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -193.918947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.918947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.918947 (E_RNA)
where:
Base-Base interactions energy: -122.950
where: short stacking energy: -65.034
Base-Backbone interact. energy: -0.945
local terms energy: -70.023089
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -15.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -99.733121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.733121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.733121 (E_RNA)
where:
Base-Base interactions energy: -43.837
where: short stacking energy: -35.912
Base-Backbone interact. energy: -0.041
local terms energy: -55.855146
where:
bonds (distance) C4'-P energy: -7.969
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -9.549
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: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -95.420323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.420323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.420323 (E_RNA)
where:
Base-Base interactions energy: -45.639
where: short stacking energy: -32.536
Base-Backbone interact. energy: -0.646
local terms energy: -49.135901
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -225.057747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.057747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.057747 (E_RNA)
where:
Base-Base interactions energy: -144.489
where: short stacking energy: -68.798
Base-Backbone interact. energy: -0.060
local terms energy: -80.508504
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -224.087890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.087890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.087890 (E_RNA)
where:
Base-Base interactions energy: -146.495
where: short stacking energy: -70.232
Base-Backbone interact. energy: -0.000
local terms energy: -77.592707
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -22.309
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: 1
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -224.892948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.892948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.892948 (E_RNA)
where:
Base-Base interactions energy: -146.517
where: short stacking energy: -72.974
Base-Backbone interact. energy: -0.016
local terms energy: -78.360262
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -219.418816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.418816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.418816 (E_RNA)
where:
Base-Base interactions energy: -145.911
where: short stacking energy: -76.795
Base-Backbone interact. energy: -0.083
local terms energy: -73.425073
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -199.033298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.033298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.033298 (E_RNA)
where:
Base-Base interactions energy: -125.009
where: short stacking energy: -73.059
Base-Backbone interact. energy: -0.134
local terms energy: -73.891055
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -213.351827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.351827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.351827 (E_RNA)
where:
Base-Base interactions energy: -135.720
where: short stacking energy: -65.293
Base-Backbone interact. energy: -0.142
local terms energy: -77.489991
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -17.964
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: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -181.426601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.426601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.426601 (E_RNA)
where:
Base-Base interactions energy: -124.587
where: short stacking energy: -56.839
Base-Backbone interact. energy: -0.008
local terms energy: -56.831606
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -173.136597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.136597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.136597 (E_RNA)
where:
Base-Base interactions energy: -109.371
where: short stacking energy: -56.342
Base-Backbone interact. energy: -0.099
local terms energy: -63.666949
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -11.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -107.235279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.235279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.235279 (E_RNA)
where:
Base-Base interactions energy: -51.658
where: short stacking energy: -48.137
Base-Backbone interact. energy: -0.060
local terms energy: -55.517272
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -79.008910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.008910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.008910 (E_RNA)
where:
Base-Base interactions energy: -35.176
where: short stacking energy: -24.197
Base-Backbone interact. energy: 0.946
local terms energy: -44.778913
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -1.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -226.138684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.138684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.138684 (E_RNA)
where:
Base-Base interactions energy: -151.703
where: short stacking energy: -75.650
Base-Backbone interact. energy: -0.099
local terms energy: -74.336767
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -230.511050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.511050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.511050 (E_RNA)
where:
Base-Base interactions energy: -151.761
where: short stacking energy: -82.358
Base-Backbone interact. energy: -1.140
local terms energy: -77.610465
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -11.528
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: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -228.904151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.904151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.904151 (E_RNA)
where:
Base-Base interactions energy: -159.981
where: short stacking energy: -79.394
Base-Backbone interact. energy: -0.010
local terms energy: -68.913133
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -20.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -209.741265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.741265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.741265 (E_RNA)
where:
Base-Base interactions energy: -138.499
where: short stacking energy: -77.287
Base-Backbone interact. energy: -0.036
local terms energy: -71.207075
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -6.500
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: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -212.274443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.274443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.274443 (E_RNA)
where:
Base-Base interactions energy: -140.636
where: short stacking energy: -71.702
Base-Backbone interact. energy: -0.015
local terms energy: -71.623985
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -180.494961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.494961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.494961 (E_RNA)
where:
Base-Base interactions energy: -119.053
where: short stacking energy: -51.516
Base-Backbone interact. energy: -0.020
local terms energy: -61.421433
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -193.115443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.115443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.115443 (E_RNA)
where:
Base-Base interactions energy: -125.872
where: short stacking energy: -67.106
Base-Backbone interact. energy: -0.019
local terms energy: -67.224721
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -9.005
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: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -179.663516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.663516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.663516 (E_RNA)
where:
Base-Base interactions energy: -119.436
where: short stacking energy: -56.884
Base-Backbone interact. energy: -0.001
local terms energy: -60.227097
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -13.555
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: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -94.498473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.498473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.498473 (E_RNA)
where:
Base-Base interactions energy: -45.399
where: short stacking energy: -44.628
Base-Backbone interact. energy: -0.070
local terms energy: -49.029315
where:
bonds (distance) C4'-P energy: -7.883
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: -6.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -76.043789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.043789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.043789 (E_RNA)
where:
Base-Base interactions energy: -30.107
where: short stacking energy: -30.107
Base-Backbone interact. energy: -0.147
local terms energy: -45.789734
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -225.557452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.557452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.557452 (E_RNA)
where:
Base-Base interactions energy: -149.564
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.013
local terms energy: -75.980666
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -12.456
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: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -228.436001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.436001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.436001 (E_RNA)
where:
Base-Base interactions energy: -152.704
where: short stacking energy: -79.517
Base-Backbone interact. energy: -0.145
local terms energy: -75.586500
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -9.254
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: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -235.467581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.467581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.467581 (E_RNA)
where:
Base-Base interactions energy: -158.335
where: short stacking energy: -78.001
Base-Backbone interact. energy: -0.989
local terms energy: -76.143194
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -203.928678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.928678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.928678 (E_RNA)
where:
Base-Base interactions energy: -143.626
where: short stacking energy: -75.714
Base-Backbone interact. energy: -0.019
local terms energy: -60.283461
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -9.084
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: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -190.155318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.155318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.155318 (E_RNA)
where:
Base-Base interactions energy: -121.986
where: short stacking energy: -65.114
Base-Backbone interact. energy: -0.601
local terms energy: -67.568509
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -12.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -183.225372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.225372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.225372 (E_RNA)
where:
Base-Base interactions energy: -121.727
where: short stacking energy: -64.019
Base-Backbone interact. energy: -0.632
local terms energy: -60.867063
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -1.851
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -164.489984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.489984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.489984 (E_RNA)
where:
Base-Base interactions energy: -108.764
where: short stacking energy: -48.976
Base-Backbone interact. energy: -0.002
local terms energy: -55.724135
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -2.021
tors. eta vs tors. theta energy: -11.061
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: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -174.250074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.250074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.250074 (E_RNA)
where:
Base-Base interactions energy: -117.081
where: short stacking energy: -58.162
Base-Backbone interact. energy: -0.778
local terms energy: -56.391259
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -83.352316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.352316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.352316 (E_RNA)
where:
Base-Base interactions energy: -44.652
where: short stacking energy: -31.575
Base-Backbone interact. energy: -0.115
local terms energy: -38.586192
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -5.694
flat angles P-C4'-P energy: -2.773
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -93.451536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.451536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.451536 (E_RNA)
where:
Base-Base interactions energy: -41.405
where: short stacking energy: -36.452
Base-Backbone interact. energy: 0.302
local terms energy: -52.349013
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -226.550818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.550818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.550818 (E_RNA)
where:
Base-Base interactions energy: -153.230
where: short stacking energy: -75.563
Base-Backbone interact. energy: -0.247
local terms energy: -73.074109
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -9.450
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: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -234.511892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.511892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.511892 (E_RNA)
where:
Base-Base interactions energy: -152.488
where: short stacking energy: -72.511
Base-Backbone interact. energy: -0.768
local terms energy: -81.256506
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -20.067
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: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -217.802493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.802493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.802493 (E_RNA)
where:
Base-Base interactions energy: -143.965
where: short stacking energy: -65.625
Base-Backbone interact. energy: 0.367
local terms energy: -74.203882
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -18.578
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: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -216.665137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.665137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.665137 (E_RNA)
where:
Base-Base interactions energy: -139.098
where: short stacking energy: -72.087
Base-Backbone interact. energy: -0.036
local terms energy: -77.531346
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -10.464
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -196.102530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.102530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.102530 (E_RNA)
where:
Base-Base interactions energy: -133.757
where: short stacking energy: -68.296
Base-Backbone interact. energy: -1.421
local terms energy: -60.925211
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -177.619785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.619785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.619785 (E_RNA)
where:
Base-Base interactions energy: -109.450
where: short stacking energy: -53.372
Base-Backbone interact. energy: 0.086
local terms energy: -68.255766
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -12.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -175.040152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.040152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.040152 (E_RNA)
where:
Base-Base interactions energy: -118.204
where: short stacking energy: -58.429
Base-Backbone interact. energy: -0.086
local terms energy: -56.749844
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -9.873
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -185.651298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.651298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.651298 (E_RNA)
where:
Base-Base interactions energy: -118.912
where: short stacking energy: -65.310
Base-Backbone interact. energy: -0.155
local terms energy: -66.584832
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -17.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -99.655750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.655750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.655750 (E_RNA)
where:
Base-Base interactions energy: -49.632
where: short stacking energy: -49.632
Base-Backbone interact. energy: -0.001
local terms energy: -50.022884
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: 0.147
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -85.251685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.251685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.251685 (E_RNA)
where:
Base-Base interactions energy: -40.657
where: short stacking energy: -40.078
Base-Backbone interact. energy: -0.073
local terms energy: -44.521164
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -229.333636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.333636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.333636 (E_RNA)
where:
Base-Base interactions energy: -161.072
where: short stacking energy: -73.829
Base-Backbone interact. energy: -0.150
local terms energy: -68.112086
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -11.291
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: 2, replica: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -225.475731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.475731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.475731 (E_RNA)
where:
Base-Base interactions energy: -145.377
where: short stacking energy: -74.999
Base-Backbone interact. energy: -0.083
local terms energy: -80.015704
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -20.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -217.988531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.988531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.988531 (E_RNA)
where:
Base-Base interactions energy: -137.422
where: short stacking energy: -77.961
Base-Backbone interact. energy: -0.003
local terms energy: -80.563500
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -21.519
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: 92
Temperature: 1.050000
Total energy: -222.230453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.230453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.230453 (E_RNA)
where:
Base-Base interactions energy: -146.985
where: short stacking energy: -75.452
Base-Backbone interact. energy: 0.007
local terms energy: -75.251703
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -10.918
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: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -189.293455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.293455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.293455 (E_RNA)
where:
Base-Base interactions energy: -118.882
where: short stacking energy: -63.410
Base-Backbone interact. energy: -0.038
local terms energy: -70.372957
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -14.299
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: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -197.675251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.675251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.675251 (E_RNA)
where:
Base-Base interactions energy: -133.571
where: short stacking energy: -68.495
Base-Backbone interact. energy: -0.096
local terms energy: -64.008193
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -2.168
tors. eta vs tors. theta energy: -16.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -189.905745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.905745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.905745 (E_RNA)
where:
Base-Base interactions energy: -120.757
where: short stacking energy: -59.386
Base-Backbone interact. energy: -0.089
local terms energy: -69.059548
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -174.343739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.343739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.343739 (E_RNA)
where:
Base-Base interactions energy: -114.703
where: short stacking energy: -56.528
Base-Backbone interact. energy: -0.886
local terms energy: -58.754828
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -8.648
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: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -91.426153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.426153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.426153 (E_RNA)
where:
Base-Base interactions energy: -36.403
where: short stacking energy: -36.403
Base-Backbone interact. energy: -0.131
local terms energy: -54.892240
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -9.917
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -8.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -87.423464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.423464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.423464 (E_RNA)
where:
Base-Base interactions energy: -40.096
where: short stacking energy: -37.701
Base-Backbone interact. energy: -0.217
local terms energy: -47.110037
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -4.559
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -236.092656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.092656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.092656 (E_RNA)
where:
Base-Base interactions energy: -159.964
where: short stacking energy: -71.246
Base-Backbone interact. energy: -0.217
local terms energy: -75.911754
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -21.654
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: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -226.723943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.723943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.723943 (E_RNA)
where:
Base-Base interactions energy: -149.387
where: short stacking energy: -74.438
Base-Backbone interact. energy: -0.024
local terms energy: -77.312518
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -21.805
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: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -222.927381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.927381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.927381 (E_RNA)
where:
Base-Base interactions energy: -149.527
where: short stacking energy: -73.448
Base-Backbone interact. energy: -0.330
local terms energy: -73.070206
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -10.618
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: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -211.574755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.574755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.574755 (E_RNA)
where:
Base-Base interactions energy: -133.124
where: short stacking energy: -67.486
Base-Backbone interact. energy: -0.212
local terms energy: -78.238707
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -8.486
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: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -209.851419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.851419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.851419 (E_RNA)
where:
Base-Base interactions energy: -141.274
where: short stacking energy: -69.691
Base-Backbone interact. energy: -0.013
local terms energy: -68.564772
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -176.762884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.762884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.762884 (E_RNA)
where:
Base-Base interactions energy: -106.296
where: short stacking energy: -60.343
Base-Backbone interact. energy: -0.748
local terms energy: -69.719177
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.804
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: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -179.278680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.278680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.278680 (E_RNA)
where:
Base-Base interactions energy: -127.483
where: short stacking energy: -64.668
Base-Backbone interact. energy: -0.046
local terms energy: -51.749179
where:
bonds (distance) C4'-P energy: -3.786
bonds (distance) P-C4' energy: -8.066
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -165.926229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.926229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.926229 (E_RNA)
where:
Base-Base interactions energy: -105.107
where: short stacking energy: -55.866
Base-Backbone interact. energy: 0.478
local terms energy: -61.296844
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -4.048
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: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -91.230467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.230467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.230467 (E_RNA)
where:
Base-Base interactions energy: -42.514
where: short stacking energy: -24.930
Base-Backbone interact. energy: -0.129
local terms energy: -48.587081
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -102.146484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.146484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.146484 (E_RNA)
where:
Base-Base interactions energy: -45.463
where: short stacking energy: -42.161
Base-Backbone interact. energy: -0.066
local terms energy: -56.617218
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -234.215477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.215477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.215477 (E_RNA)
where:
Base-Base interactions energy: -157.955
where: short stacking energy: -71.076
Base-Backbone interact. energy: -0.001
local terms energy: -76.259734
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -11.569
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: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -214.286583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.286583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.286583 (E_RNA)
where:
Base-Base interactions energy: -136.971
where: short stacking energy: -64.495
Base-Backbone interact. energy: -0.485
local terms energy: -76.830948
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -218.033952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.033952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.033952 (E_RNA)
where:
Base-Base interactions energy: -143.532
where: short stacking energy: -71.224
Base-Backbone interact. energy: -0.003
local terms energy: -74.499062
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -210.229916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.229916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.229916 (E_RNA)
where:
Base-Base interactions energy: -136.425
where: short stacking energy: -68.035
Base-Backbone interact. energy: -0.395
local terms energy: -73.409326
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -14.546
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: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -212.356788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.356788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.356788 (E_RNA)
where:
Base-Base interactions energy: -140.963
where: short stacking energy: -68.626
Base-Backbone interact. energy: -0.511
local terms energy: -70.883405
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -16.013
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: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -182.087063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.087063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.087063 (E_RNA)
where:
Base-Base interactions energy: -123.812
where: short stacking energy: -55.650
Base-Backbone interact. energy: -0.096
local terms energy: -58.178855
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -4.182
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -172.749300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.749300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.749300 (E_RNA)
where:
Base-Base interactions energy: -111.171
where: short stacking energy: -62.199
Base-Backbone interact. energy: -0.001
local terms energy: -61.577644
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -166.236694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.236694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.236694 (E_RNA)
where:
Base-Base interactions energy: -112.732
where: short stacking energy: -51.905
Base-Backbone interact. energy: -0.097
local terms energy: -53.407278
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -3.979
tors. eta vs tors. theta energy: -12.165
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: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -77.717078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.717078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.717078 (E_RNA)
where:
Base-Base interactions energy: -33.278
where: short stacking energy: -26.308
Base-Backbone interact. energy: -0.916
local terms energy: -43.522713
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -2.415
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: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -89.353378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.353378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.353378 (E_RNA)
where:
Base-Base interactions energy: -38.818
where: short stacking energy: -32.831
Base-Backbone interact. energy: -0.204
local terms energy: -50.331618
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -236.870406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.870406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.870406 (E_RNA)
where:
Base-Base interactions energy: -155.310
where: short stacking energy: -75.909
Base-Backbone interact. energy: -0.793
local terms energy: -80.766841
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -19.976
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: 95
Temperature: 0.950000
Total energy: -225.237867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.237867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.237867 (E_RNA)
where:
Base-Base interactions energy: -145.495
where: short stacking energy: -72.793
Base-Backbone interact. energy: -0.285
local terms energy: -79.458291
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -226.772042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.772042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.772042 (E_RNA)
where:
Base-Base interactions energy: -146.682
where: short stacking energy: -73.210
Base-Backbone interact. energy: -0.039
local terms energy: -80.051743
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -201.639567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.639567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.639567 (E_RNA)
where:
Base-Base interactions energy: -129.966
where: short stacking energy: -59.768
Base-Backbone interact. energy: -0.059
local terms energy: -71.614054
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -14.911
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: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -209.871189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.871189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.871189 (E_RNA)
where:
Base-Base interactions energy: -140.522
where: short stacking energy: -68.974
Base-Backbone interact. energy: -0.003
local terms energy: -69.346622
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -185.296313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.296313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.296313 (E_RNA)
where:
Base-Base interactions energy: -119.117
where: short stacking energy: -57.723
Base-Backbone interact. energy: 0.576
local terms energy: -66.755428
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -10.237
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: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -176.030910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.030910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.030910 (E_RNA)
where:
Base-Base interactions energy: -112.377
where: short stacking energy: -56.787
Base-Backbone interact. energy: -0.024
local terms energy: -63.630235
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -10.184
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: 8, replica: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -160.706289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.706289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.706289 (E_RNA)
where:
Base-Base interactions energy: -96.430
where: short stacking energy: -50.140
Base-Backbone interact. energy: -0.037
local terms energy: -64.239236
where:
bonds (distance) C4'-P energy: -8.734
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -11.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -86.573969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.573969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.573969 (E_RNA)
where:
Base-Base interactions energy: -34.831
where: short stacking energy: -34.461
Base-Backbone interact. energy: -0.003
local terms energy: -51.740508
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -123.114671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.114671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.114671 (E_RNA)
where:
Base-Base interactions energy: -66.111
where: short stacking energy: -33.561
Base-Backbone interact. energy: -0.093
local terms energy: -56.910631
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -232.163324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.163324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.163324 (E_RNA)
where:
Base-Base interactions energy: -156.523
where: short stacking energy: -77.130
Base-Backbone interact. energy: -0.217
local terms energy: -75.423686
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -228.675533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.675533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.675533 (E_RNA)
where:
Base-Base interactions energy: -149.895
where: short stacking energy: -85.215
Base-Backbone interact. energy: -0.029
local terms energy: -78.752362
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -23.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -220.059852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.059852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.059852 (E_RNA)
where:
Base-Base interactions energy: -154.573
where: short stacking energy: -78.589
Base-Backbone interact. energy: -0.000
local terms energy: -65.486692
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -3.402
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -205.340498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.340498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.340498 (E_RNA)
where:
Base-Base interactions energy: -137.392
where: short stacking energy: -67.963
Base-Backbone interact. energy: -0.000
local terms energy: -67.947734
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -15.944
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: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -204.997892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.997892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.997892 (E_RNA)
where:
Base-Base interactions energy: -141.398
where: short stacking energy: -69.296
Base-Backbone interact. energy: -0.023
local terms energy: -63.577161
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -15.879
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: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -193.702205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.702205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.702205 (E_RNA)
where:
Base-Base interactions energy: -126.801
where: short stacking energy: -59.761
Base-Backbone interact. energy: -0.027
local terms energy: -66.874520
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -9.793
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -10.628
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: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -172.479315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.479315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.479315 (E_RNA)
where:
Base-Base interactions energy: -105.067
where: short stacking energy: -52.126
Base-Backbone interact. energy: -0.038
local terms energy: -67.374273
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -11.526
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: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -172.698182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.698182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.698182 (E_RNA)
where:
Base-Base interactions energy: -100.642
where: short stacking energy: -53.014
Base-Backbone interact. energy: -0.019
local terms energy: -72.037799
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -13.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -95.951861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.951861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.951861 (E_RNA)
where:
Base-Base interactions energy: -45.972
where: short stacking energy: -45.972
Base-Backbone interact. energy: -0.013
local terms energy: -49.967318
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -3.368
tors. eta vs tors. theta energy: -9.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -108.817497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.817497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.817497 (E_RNA)
where:
Base-Base interactions energy: -69.247
where: short stacking energy: -34.444
Base-Backbone interact. energy: -0.349
local terms energy: -39.221728
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -1.495
tors. eta vs tors. theta energy: -5.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -237.400383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.400383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.400383 (E_RNA)
where:
Base-Base interactions energy: -157.119
where: short stacking energy: -79.404
Base-Backbone interact. energy: -0.000
local terms energy: -80.281318
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -25.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -228.656354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.656354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.656354 (E_RNA)
where:
Base-Base interactions energy: -145.009
where: short stacking energy: -78.731
Base-Backbone interact. energy: -0.596
local terms energy: -83.050490
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -21.590
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: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -207.943578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.943578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.943578 (E_RNA)
where:
Base-Base interactions energy: -134.687
where: short stacking energy: -59.652
Base-Backbone interact. energy: -0.645
local terms energy: -72.611990
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -11.322
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: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -216.134392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.134392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.134392 (E_RNA)
where:
Base-Base interactions energy: -144.041
where: short stacking energy: -74.450
Base-Backbone interact. energy: -0.028
local terms energy: -72.065643
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -10.503
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: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -187.872319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.872319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.872319 (E_RNA)
where:
Base-Base interactions energy: -115.609
where: short stacking energy: -63.636
Base-Backbone interact. energy: -0.331
local terms energy: -71.932767
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -7.403
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: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -193.935476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.935476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.935476 (E_RNA)
where:
Base-Base interactions energy: -123.502
where: short stacking energy: -61.765
Base-Backbone interact. energy: -0.005
local terms energy: -70.428210
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -17.833
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: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -182.766367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.766367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.766367 (E_RNA)
where:
Base-Base interactions energy: -121.830
where: short stacking energy: -62.578
Base-Backbone interact. energy: -0.441
local terms energy: -60.495449
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -183.986637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.986637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.986637 (E_RNA)
where:
Base-Base interactions energy: -123.802
where: short stacking energy: -63.197
Base-Backbone interact. energy: -0.063
local terms energy: -60.122520
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -3.696
tors. eta vs tors. theta energy: -17.412
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: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -99.839277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.839277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.839277 (E_RNA)
where:
Base-Base interactions energy: -50.268
where: short stacking energy: -50.268
Base-Backbone interact. energy: -0.013
local terms energy: -49.558630
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -4.985
tors. eta vs tors. theta energy: -9.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -88.549966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.549966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.549966 (E_RNA)
where:
Base-Base interactions energy: -43.078
where: short stacking energy: -36.771
Base-Backbone interact. energy: -0.147
local terms energy: -45.325424
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -2.663
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: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -235.912485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.912485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.912485 (E_RNA)
where:
Base-Base interactions energy: -154.641
where: short stacking energy: -78.473
Base-Backbone interact. energy: -0.622
local terms energy: -80.649862
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -13.392
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: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -222.500789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.500789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.500789 (E_RNA)
where:
Base-Base interactions energy: -144.436
where: short stacking energy: -76.619
Base-Backbone interact. energy: -0.716
local terms energy: -77.349498
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -21.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -212.732910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.732910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.732910 (E_RNA)
where:
Base-Base interactions energy: -142.856
where: short stacking energy: -71.762
Base-Backbone interact. energy: -0.043
local terms energy: -69.834097
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -17.057
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: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -223.612617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.612617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.612617 (E_RNA)
where:
Base-Base interactions energy: -140.749
where: short stacking energy: -73.000
Base-Backbone interact. energy: -1.601
local terms energy: -81.263081
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -18.761
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: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -177.615810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.615810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.615810 (E_RNA)
where:
Base-Base interactions energy: -122.036
where: short stacking energy: -56.360
Base-Backbone interact. energy: 0.347
local terms energy: -55.926637
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -195.790078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.790078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.790078 (E_RNA)
where:
Base-Base interactions energy: -125.928
where: short stacking energy: -62.356
Base-Backbone interact. energy: -0.233
local terms energy: -69.628695
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -15.135
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: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -183.216197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.216197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.216197 (E_RNA)
where:
Base-Base interactions energy: -117.309
where: short stacking energy: -53.205
Base-Backbone interact. energy: -0.165
local terms energy: -65.742424
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -11.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -175.252537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.252537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.252537 (E_RNA)
where:
Base-Base interactions energy: -116.049
where: short stacking energy: -55.775
Base-Backbone interact. energy: -0.201
local terms energy: -59.002992
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -76.446698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.446698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.446698 (E_RNA)
where:
Base-Base interactions energy: -29.280
where: short stacking energy: -28.623
Base-Backbone interact. energy: -0.098
local terms energy: -47.068726
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -9.476
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: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -101.490938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.490938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.490938 (E_RNA)
where:
Base-Base interactions energy: -42.329
where: short stacking energy: -35.020
Base-Backbone interact. energy: -0.193
local terms energy: -58.968362
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -10.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -231.757075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.757075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.757075 (E_RNA)
where:
Base-Base interactions energy: -157.445
where: short stacking energy: -75.495
Base-Backbone interact. energy: -0.002
local terms energy: -74.310967
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -233.579917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.579917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.579917 (E_RNA)
where:
Base-Base interactions energy: -150.337
where: short stacking energy: -79.864
Base-Backbone interact. energy: -0.007
local terms energy: -83.236155
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -21.866
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: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -212.328449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.328449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.328449 (E_RNA)
where:
Base-Base interactions energy: -140.029
where: short stacking energy: -68.721
Base-Backbone interact. energy: -0.339
local terms energy: -71.960465
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -11.455
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: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -224.987292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.987292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.987292 (E_RNA)
where:
Base-Base interactions energy: -144.482
where: short stacking energy: -73.916
Base-Backbone interact. energy: -0.005
local terms energy: -80.499883
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -20.990
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: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -190.486027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.486027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.486027 (E_RNA)
where:
Base-Base interactions energy: -123.239
where: short stacking energy: -56.175
Base-Backbone interact. energy: -0.638
local terms energy: -66.608634
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -15.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -198.585350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.585350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.585350 (E_RNA)
where:
Base-Base interactions energy: -142.152
where: short stacking energy: -69.954
Base-Backbone interact. energy: -0.619
local terms energy: -55.814014
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -7.687
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -182.801338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.801338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.801338 (E_RNA)
where:
Base-Base interactions energy: -124.895
where: short stacking energy: -57.384
Base-Backbone interact. energy: -0.115
local terms energy: -57.790797
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -101.469188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.469188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.469188 (E_RNA)
where:
Base-Base interactions energy: -45.891
where: short stacking energy: -45.891
Base-Backbone interact. energy: -0.010
local terms energy: -55.568388
where:
bonds (distance) C4'-P energy: -7.064
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -11.789
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: 3
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -159.804569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.804569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.804569 (E_RNA)
where:
Base-Base interactions energy: -113.993
where: short stacking energy: -55.549
Base-Backbone interact. energy: -1.128
local terms energy: -44.683547
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -6.505
flat angles P-C4'-P energy: -1.087
tors. eta vs tors. theta energy: -13.976
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: 99
Temperature: 1.350000
Total energy: -93.173939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.173939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.173939 (E_RNA)
where:
Base-Base interactions energy: -39.221
where: short stacking energy: -39.221
Base-Backbone interact. energy: -0.160
local terms energy: -53.793779
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -4.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -221.040339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.040339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.040339 (E_RNA)
where:
Base-Base interactions energy: -144.645
where: short stacking energy: -78.156
Base-Backbone interact. energy: -0.004
local terms energy: -76.391680
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -19.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -235.130006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.130006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.130006 (E_RNA)
where:
Base-Base interactions energy: -155.785
where: short stacking energy: -83.814
Base-Backbone interact. energy: -0.281
local terms energy: -79.063608
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -21.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -228.476780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.476780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.476780 (E_RNA)
where:
Base-Base interactions energy: -156.265
where: short stacking energy: -78.598
Base-Backbone interact. energy: -0.134
local terms energy: -72.077222
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: -23.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -215.389336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.389336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.389336 (E_RNA)
where:
Base-Base interactions energy: -147.209
where: short stacking energy: -73.135
Base-Backbone interact. energy: -0.007
local terms energy: -68.173526
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -18.347
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: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -208.989257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.989257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.989257 (E_RNA)
where:
Base-Base interactions energy: -134.194
where: short stacking energy: -61.952
Base-Backbone interact. energy: -0.015
local terms energy: -74.780268
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -11.474
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: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -205.823738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.823738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.823738 (E_RNA)
where:
Base-Base interactions energy: -131.234
where: short stacking energy: -71.284
Base-Backbone interact. energy: 0.190
local terms energy: -74.779977
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -21.190
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: 100
Temperature: 1.200000
Total energy: -180.013276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.013276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.013276 (E_RNA)
where:
Base-Base interactions energy: -118.997
where: short stacking energy: -56.327
Base-Backbone interact. energy: -0.341
local terms energy: -60.675985
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -14.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -96.580567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.580567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.580567 (E_RNA)
where:
Base-Base interactions energy: -43.514
where: short stacking energy: -34.850
Base-Backbone interact. energy: 0.237
local terms energy: -53.303635
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -174.962629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.962629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.962629 (E_RNA)
where:
Base-Base interactions energy: -110.875
where: short stacking energy: -59.253
Base-Backbone interact. energy: -0.001
local terms energy: -64.086743
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -16.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -85.264436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.264436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.264436 (E_RNA)
where:
Base-Base interactions energy: -39.119
where: short stacking energy: -39.119
Base-Backbone interact. energy: 1.033
local terms energy: -47.179387
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -230.573447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.573447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.573447 (E_RNA)
where:
Base-Base interactions energy: -155.334
where: short stacking energy: -73.388
Base-Backbone interact. energy: -0.002
local terms energy: -75.236809
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -227.733493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.733493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.733493 (E_RNA)
where:
Base-Base interactions energy: -148.973
where: short stacking energy: -73.203
Base-Backbone interact. energy: -0.376
local terms energy: -78.384915
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -19.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -232.604342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.604342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.604342 (E_RNA)
where:
Base-Base interactions energy: -155.743
where: short stacking energy: -78.948
Base-Backbone interact. energy: -0.001
local terms energy: -76.860591
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -20.937
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: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -201.746593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.746593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.746593 (E_RNA)
where:
Base-Base interactions energy: -140.725
where: short stacking energy: -61.296
Base-Backbone interact. energy: -0.091
local terms energy: -60.930693
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -203.490216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.490216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.490216 (E_RNA)
where:
Base-Base interactions energy: -139.529
where: short stacking energy: -71.253
Base-Backbone interact. energy: -0.429
local terms energy: -63.531953
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -7.202
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -16.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -204.077071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.077071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.077071 (E_RNA)
where:
Base-Base interactions energy: -135.363
where: short stacking energy: -66.824
Base-Backbone interact. energy: -0.002
local terms energy: -68.712511
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -176.429413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.429413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.429413 (E_RNA)
where:
Base-Base interactions energy: -112.636
where: short stacking energy: -50.239
Base-Backbone interact. energy: -1.020
local terms energy: -62.773482
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -11.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -171.213463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.213463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.213463 (E_RNA)
where:
Base-Base interactions energy: -109.868
where: short stacking energy: -46.064
Base-Backbone interact. energy: 1.914
local terms energy: -63.260375
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -7.964
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: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -81.246603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.246603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.246603 (E_RNA)
where:
Base-Base interactions energy: -38.026
where: short stacking energy: -32.377
Base-Backbone interact. energy: -0.384
local terms energy: -42.836143
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -10.246
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -94.633914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.633914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.633914 (E_RNA)
where:
Base-Base interactions energy: -43.230
where: short stacking energy: -32.526
Base-Backbone interact. energy: 1.816
local terms energy: -53.219778
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -231.828180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.828180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.828180 (E_RNA)
where:
Base-Base interactions energy: -154.643
where: short stacking energy: -79.227
Base-Backbone interact. energy: 0.087
local terms energy: -77.272333
where:
bonds (distance) C4'-P energy: -8.071
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -21.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -224.715703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.715703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.715703 (E_RNA)
where:
Base-Base interactions energy: -153.286
where: short stacking energy: -77.152
Base-Backbone interact. energy: -0.001
local terms energy: -71.428309
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -228.754268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.754268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.754268 (E_RNA)
where:
Base-Base interactions energy: -146.471
where: short stacking energy: -71.277
Base-Backbone interact. energy: -0.615
local terms energy: -81.668576
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -11.678
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: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -197.650029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.650029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.650029 (E_RNA)
where:
Base-Base interactions energy: -135.393
where: short stacking energy: -62.424
Base-Backbone interact. energy: 1.089
local terms energy: -63.346515
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -211.053797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.053797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.053797 (E_RNA)
where:
Base-Base interactions energy: -139.524
where: short stacking energy: -69.932
Base-Backbone interact. energy: -0.002
local terms energy: -71.528261
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -20.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -202.208886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.208886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.208886 (E_RNA)
where:
Base-Base interactions energy: -138.762
where: short stacking energy: -62.988
Base-Backbone interact. energy: -0.024
local terms energy: -63.422787
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -182.311484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.311484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.311484 (E_RNA)
where:
Base-Base interactions energy: -118.835
where: short stacking energy: -62.731
Base-Backbone interact. energy: -0.004
local terms energy: -63.472928
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -4.237
tors. eta vs tors. theta energy: -14.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -174.984155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.984155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.984155 (E_RNA)
where:
Base-Base interactions energy: -107.408
where: short stacking energy: -54.251
Base-Backbone interact. energy: 0.785
local terms energy: -68.361326
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -8.097
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: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -101.995538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.995538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.995538 (E_RNA)
where:
Base-Base interactions energy: -46.222
where: short stacking energy: -34.297
Base-Backbone interact. energy: -0.056
local terms energy: -55.717230
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -6.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -102.527443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.527443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.527443 (E_RNA)
where:
Base-Base interactions energy: -54.997
where: short stacking energy: -35.959
Base-Backbone interact. energy: -1.043
local terms energy: -46.487090
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -7.287
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: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -234.241047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.241047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.241047 (E_RNA)
where:
Base-Base interactions energy: -155.439
where: short stacking energy: -79.259
Base-Backbone interact. energy: -0.080
local terms energy: -78.722660
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -21.593
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: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -224.817448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.817448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.817448 (E_RNA)
where:
Base-Base interactions energy: -141.463
where: short stacking energy: -70.984
Base-Backbone interact. energy: -0.008
local terms energy: -83.346550
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -14.149
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: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -230.586059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.586059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.586059 (E_RNA)
where:
Base-Base interactions energy: -154.092
where: short stacking energy: -77.025
Base-Backbone interact. energy: -0.000
local terms energy: -76.493114
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -20.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -192.869012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.869012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.869012 (E_RNA)
where:
Base-Base interactions energy: -131.769
where: short stacking energy: -51.671
Base-Backbone interact. energy: -0.256
local terms energy: -60.844702
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -180.365186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.365186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.365186 (E_RNA)
where:
Base-Base interactions energy: -115.931
where: short stacking energy: -61.611
Base-Backbone interact. energy: -0.522
local terms energy: -63.912888
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -183.608610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.608610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.608610 (E_RNA)
where:
Base-Base interactions energy: -113.156
where: short stacking energy: -67.112
Base-Backbone interact. energy: -1.707
local terms energy: -68.745706
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -193.192284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.192284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.192284 (E_RNA)
where:
Base-Base interactions energy: -128.507
where: short stacking energy: -63.416
Base-Backbone interact. energy: -0.112
local terms energy: -64.572626
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -158.422391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.422391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.422391 (E_RNA)
where:
Base-Base interactions energy: -96.891
where: short stacking energy: -44.281
Base-Backbone interact. energy: 1.481
local terms energy: -63.012377
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -11.027
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: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -85.595936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.595936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.595936 (E_RNA)
where:
Base-Base interactions energy: -41.445
where: short stacking energy: -34.153
Base-Backbone interact. energy: -0.288
local terms energy: -43.862898
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -5.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -88.653624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.653624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.653624 (E_RNA)
where:
Base-Base interactions energy: -38.993
where: short stacking energy: -34.973
Base-Backbone interact. energy: -1.568
local terms energy: -48.092547
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -8.955
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -237.976330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.976330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.976330 (E_RNA)
where:
Base-Base interactions energy: -157.488
where: short stacking energy: -85.567
Base-Backbone interact. energy: -0.002
local terms energy: -80.486561
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -22.919
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: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -219.501837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.501837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.501837 (E_RNA)
where:
Base-Base interactions energy: -140.603
where: short stacking energy: -68.677
Base-Backbone interact. energy: -0.036
local terms energy: -78.862770
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -227.145037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.145037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.145037 (E_RNA)
where:
Base-Base interactions energy: -153.719
where: short stacking energy: -73.831
Base-Backbone interact. energy: -0.016
local terms energy: -73.410455
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -188.874482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.874482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.874482 (E_RNA)
where:
Base-Base interactions energy: -123.678
where: short stacking energy: -62.315
Base-Backbone interact. energy: -1.094
local terms energy: -64.102536
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -8.207
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -198.196395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.196395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.196395 (E_RNA)
where:
Base-Base interactions energy: -127.979
where: short stacking energy: -72.517
Base-Backbone interact. energy: -0.136
local terms energy: -70.081587
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -16.573
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: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -187.580932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.580932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.580932 (E_RNA)
where:
Base-Base interactions energy: -118.175
where: short stacking energy: -65.212
Base-Backbone interact. energy: -0.003
local terms energy: -69.403016
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -180.837630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.837630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.837630 (E_RNA)
where:
Base-Base interactions energy: -109.925
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.416
local terms energy: -70.497096
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -170.719848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.719848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.719848 (E_RNA)
where:
Base-Base interactions energy: -105.583
where: short stacking energy: -54.053
Base-Backbone interact. energy: -0.949
local terms energy: -64.187736
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -93.464344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.464344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.464344 (E_RNA)
where:
Base-Base interactions energy: -49.510
where: short stacking energy: -30.776
Base-Backbone interact. energy: -0.820
local terms energy: -43.135213
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -9.230
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -104.444689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.444689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.444689 (E_RNA)
where:
Base-Base interactions energy: -48.854
where: short stacking energy: -39.433
Base-Backbone interact. energy: -0.015
local terms energy: -55.575817
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -10.590
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: 1, replica: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -234.804701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.804701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.804701 (E_RNA)
where:
Base-Base interactions energy: -148.542
where: short stacking energy: -76.896
Base-Backbone interact. energy: -0.501
local terms energy: -85.761531
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -23.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -231.054210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.054210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.054210 (E_RNA)
where:
Base-Base interactions energy: -153.617
where: short stacking energy: -78.729
Base-Backbone interact. energy: -0.034
local terms energy: -77.402392
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -19.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -220.995159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.995159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.995159 (E_RNA)
where:
Base-Base interactions energy: -154.155
where: short stacking energy: -80.766
Base-Backbone interact. energy: -0.039
local terms energy: -66.801796
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -6.641
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -21.899
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: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -194.979376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.979376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.979376 (E_RNA)
where:
Base-Base interactions energy: -128.361
where: short stacking energy: -53.760
Base-Backbone interact. energy: -1.126
local terms energy: -65.492241
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -11.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -181.253625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.253625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.253625 (E_RNA)
where:
Base-Base interactions energy: -117.779
where: short stacking energy: -63.213
Base-Backbone interact. energy: -0.021
local terms energy: -63.453674
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -172.433053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.433053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.433053 (E_RNA)
where:
Base-Base interactions energy: -113.234
where: short stacking energy: -50.716
Base-Backbone interact. energy: -0.155
local terms energy: -59.044094
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -10.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -174.475477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.475477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.475477 (E_RNA)
where:
Base-Base interactions energy: -110.507
where: short stacking energy: -52.124
Base-Backbone interact. energy: 1.561
local terms energy: -65.529862
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -12.228
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: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -190.035907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.035907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.035907 (E_RNA)
where:
Base-Base interactions energy: -129.669
where: short stacking energy: -56.118
Base-Backbone interact. energy: -0.183
local terms energy: -60.183894
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -83.757948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.757948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.757948 (E_RNA)
where:
Base-Base interactions energy: -34.544
where: short stacking energy: -25.676
Base-Backbone interact. energy: -0.225
local terms energy: -48.988122
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -7.975
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: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -105.645843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.645843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.645843 (E_RNA)
where:
Base-Base interactions energy: -60.795
where: short stacking energy: -49.760
Base-Backbone interact. energy: -0.033
local terms energy: -44.818358
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -3.801
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -242.982388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.982388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.982388 (E_RNA)
where:
Base-Base interactions energy: -166.197
where: short stacking energy: -75.283
Base-Backbone interact. energy: -0.700
local terms energy: -76.085778
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -8.637
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: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -224.969650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.969650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.969650 (E_RNA)
where:
Base-Base interactions energy: -149.553
where: short stacking energy: -72.127
Base-Backbone interact. energy: -0.023
local terms energy: -75.393558
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -199.834086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.834086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.834086 (E_RNA)
where:
Base-Base interactions energy: -128.835
where: short stacking energy: -72.588
Base-Backbone interact. energy: -0.699
local terms energy: -70.299188
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -8.454
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: 4, replica: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -218.481308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.481308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.481308 (E_RNA)
where:
Base-Base interactions energy: -150.753
where: short stacking energy: -76.676
Base-Backbone interact. energy: -0.912
local terms energy: -66.816829
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -3.828
tors. eta vs tors. theta energy: -22.366
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: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -184.869335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.869335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.869335 (E_RNA)
where:
Base-Base interactions energy: -112.917
where: short stacking energy: -61.170
Base-Backbone interact. energy: -0.011
local terms energy: -71.940608
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -180.678097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.678097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.678097 (E_RNA)
where:
Base-Base interactions energy: -118.072
where: short stacking energy: -56.104
Base-Backbone interact. energy: -0.162
local terms energy: -62.444341
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -12.951
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: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -187.717368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.717368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.717368 (E_RNA)
where:
Base-Base interactions energy: -129.077
where: short stacking energy: -56.818
Base-Backbone interact. energy: -0.170
local terms energy: -58.470039
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -8.226
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: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -185.037729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.037729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.037729 (E_RNA)
where:
Base-Base interactions energy: -120.364
where: short stacking energy: -64.158
Base-Backbone interact. energy: -0.817
local terms energy: -63.857040
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -13.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -94.731059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.731059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.731059 (E_RNA)
where:
Base-Base interactions energy: -37.945
where: short stacking energy: -38.245
Base-Backbone interact. energy: 1.675
local terms energy: -58.461216
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -11.037
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: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -84.551047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.551047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.551047 (E_RNA)
where:
Base-Base interactions energy: -38.428
where: short stacking energy: -36.265
Base-Backbone interact. energy: -0.022
local terms energy: -46.100668
where:
bonds (distance) C4'-P energy: -8.639
bonds (distance) P-C4' energy: -8.324
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -9.538
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: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -238.480487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.480487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.480487 (E_RNA)
where:
Base-Base interactions energy: -161.307
where: short stacking energy: -78.864
Base-Backbone interact. energy: -0.077
local terms energy: -77.096282
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -9.561
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: 2, replica: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -229.623790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.623790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.623790 (E_RNA)
where:
Base-Base interactions energy: -149.061
where: short stacking energy: -79.040
Base-Backbone interact. energy: -0.863
local terms energy: -79.700349
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -214.487541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.487541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.487541 (E_RNA)
where:
Base-Base interactions energy: -147.628
where: short stacking energy: -76.650
Base-Backbone interact. energy: -0.015
local terms energy: -66.844191
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -207.507138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.507138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.507138 (E_RNA)
where:
Base-Base interactions energy: -132.812
where: short stacking energy: -72.269
Base-Backbone interact. energy: 0.360
local terms energy: -75.054956
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -183.022753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.022753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.022753 (E_RNA)
where:
Base-Base interactions energy: -125.999
where: short stacking energy: -51.830
Base-Backbone interact. energy: -0.741
local terms energy: -56.282839
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -10.382
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: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -179.878617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.878617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.878617 (E_RNA)
where:
Base-Base interactions energy: -111.429
where: short stacking energy: -58.196
Base-Backbone interact. energy: -0.003
local terms energy: -68.446310
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -13.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -202.598941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.598941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.598941 (E_RNA)
where:
Base-Base interactions energy: -139.914
where: short stacking energy: -71.949
Base-Backbone interact. energy: -0.047
local terms energy: -62.637709
where:
bonds (distance) C4'-P energy: -5.420
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -17.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -177.516745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.516745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.516745 (E_RNA)
where:
Base-Base interactions energy: -108.395
where: short stacking energy: -53.948
Base-Backbone interact. energy: -0.026
local terms energy: -69.096368
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -11.994
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: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -114.591500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.591500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.591500 (E_RNA)
where:
Base-Base interactions energy: -56.142
where: short stacking energy: -34.540
Base-Backbone interact. energy: -0.244
local terms energy: -58.205876
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -10.996
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: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -76.337587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.337587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.337587 (E_RNA)
where:
Base-Base interactions energy: -29.268
where: short stacking energy: -29.268
Base-Backbone interact. energy: -0.089
local terms energy: -46.980596
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -229.795383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.795383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.795383 (E_RNA)
where:
Base-Base interactions energy: -155.028
where: short stacking energy: -81.241
Base-Backbone interact. energy: -0.417
local terms energy: -74.350593
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -228.225457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.225457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.225457 (E_RNA)
where:
Base-Base interactions energy: -149.081
where: short stacking energy: -73.658
Base-Backbone interact. energy: -0.685
local terms energy: -78.459345
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -10.678
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: 108
Temperature: 1.000000
Total energy: -216.922555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.922555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.922555 (E_RNA)
where:
Base-Base interactions energy: -139.379
where: short stacking energy: -70.293
Base-Backbone interact. energy: -0.417
local terms energy: -77.126632
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -209.805118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.805118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.805118 (E_RNA)
where:
Base-Base interactions energy: -136.673
where: short stacking energy: -64.558
Base-Backbone interact. energy: -0.041
local terms energy: -73.090888
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -179.145537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.145537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.145537 (E_RNA)
where:
Base-Base interactions energy: -113.288
where: short stacking energy: -62.881
Base-Backbone interact. energy: 0.264
local terms energy: -66.121652
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -11.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -185.669058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.669058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.669058 (E_RNA)
where:
Base-Base interactions energy: -121.018
where: short stacking energy: -65.760
Base-Backbone interact. energy: -0.092
local terms energy: -64.558642
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -12.132
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: 108
Temperature: 1.200000
Total energy: -179.418735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.418735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.418735 (E_RNA)
where:
Base-Base interactions energy: -116.120
where: short stacking energy: -55.229
Base-Backbone interact. energy: -0.074
local terms energy: -63.224392
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -11.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -163.931336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.931336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.931336 (E_RNA)
where:
Base-Base interactions energy: -104.186
where: short stacking energy: -47.777
Base-Backbone interact. energy: -0.080
local terms energy: -59.664807
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -10.997
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: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -113.342063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.342063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.342063 (E_RNA)
where:
Base-Base interactions energy: -62.732
where: short stacking energy: -39.715
Base-Backbone interact. energy: -0.104
local terms energy: -50.506406
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -76.266820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.266820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.266820 (E_RNA)
where:
Base-Base interactions energy: -35.353
where: short stacking energy: -24.381
Base-Backbone interact. energy: -0.286
local terms energy: -40.628207
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: 0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -233.821790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.821790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.821790 (E_RNA)
where:
Base-Base interactions energy: -151.210
where: short stacking energy: -80.342
Base-Backbone interact. energy: -0.031
local terms energy: -82.579875
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -23.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -232.236018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.236018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.236018 (E_RNA)
where:
Base-Base interactions energy: -157.046
where: short stacking energy: -74.524
Base-Backbone interact. energy: -0.011
local terms energy: -75.179764
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -216.714961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.714961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.714961 (E_RNA)
where:
Base-Base interactions energy: -145.850
where: short stacking energy: -67.215
Base-Backbone interact. energy: -0.033
local terms energy: -70.832312
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -210.287610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.287610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.287610 (E_RNA)
where:
Base-Base interactions energy: -141.201
where: short stacking energy: -76.901
Base-Backbone interact. energy: -0.006
local terms energy: -69.080389
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -23.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -195.127482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.127482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.127482 (E_RNA)
where:
Base-Base interactions energy: -126.341
where: short stacking energy: -70.891
Base-Backbone interact. energy: 0.189
local terms energy: -68.976330
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -194.534022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.534022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.534022 (E_RNA)
where:
Base-Base interactions energy: -127.925
where: short stacking energy: -62.487
Base-Backbone interact. energy: -0.096
local terms energy: -66.512284
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -17.405
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: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -180.047752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.047752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.047752 (E_RNA)
where:
Base-Base interactions energy: -117.254
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.120
local terms energy: -62.673537
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -11.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -174.020375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.020375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.020375 (E_RNA)
where:
Base-Base interactions energy: -111.026
where: short stacking energy: -56.115
Base-Backbone interact. energy: -0.175
local terms energy: -62.819602
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -7.526
flat angles P-C4'-P energy: -10.847
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: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -85.275927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.275927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.275927 (E_RNA)
where:
Base-Base interactions energy: -37.724
where: short stacking energy: -36.796
Base-Backbone interact. energy: -0.696
local terms energy: -46.855380
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -89.470278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.470278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.470278 (E_RNA)
where:
Base-Base interactions energy: -40.039
where: short stacking energy: -40.039
Base-Backbone interact. energy: 0.308
local terms energy: -49.738780
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -7.800
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: 1, replica: 4
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -234.406826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.406826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.406826 (E_RNA)
where:
Base-Base interactions energy: -157.023
where: short stacking energy: -77.598
Base-Backbone interact. energy: -0.697
local terms energy: -76.686390
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -237.532242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.532242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.532242 (E_RNA)
where:
Base-Base interactions energy: -155.574
where: short stacking energy: -83.640
Base-Backbone interact. energy: -0.006
local terms energy: -81.952137
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -22.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -223.527169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.527169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.527169 (E_RNA)
where:
Base-Base interactions energy: -140.936
where: short stacking energy: -80.893
Base-Backbone interact. energy: -1.754
local terms energy: -80.837119
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -21.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -208.611890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.611890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.611890 (E_RNA)
where:
Base-Base interactions energy: -138.018
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.067
local terms energy: -70.526777
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -203.931525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.931525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.931525 (E_RNA)
where:
Base-Base interactions energy: -128.661
where: short stacking energy: -67.356
Base-Backbone interact. energy: -1.499
local terms energy: -73.771996
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -18.711
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: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -171.859917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.859917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.859917 (E_RNA)
where:
Base-Base interactions energy: -111.123
where: short stacking energy: -47.267
Base-Backbone interact. energy: -0.816
local terms energy: -59.920519
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -9.855
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: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -183.280702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.280702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.280702 (E_RNA)
where:
Base-Base interactions energy: -118.091
where: short stacking energy: -61.024
Base-Backbone interact. energy: -0.004
local terms energy: -65.185510
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -13.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -182.220198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.220198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.220198 (E_RNA)
where:
Base-Base interactions energy: -123.305
where: short stacking energy: -52.424
Base-Backbone interact. energy: -0.247
local terms energy: -58.668078
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -12.608
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: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -88.422014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.422014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.422014 (E_RNA)
where:
Base-Base interactions energy: -39.653
where: short stacking energy: -39.561
Base-Backbone interact. energy: -0.169
local terms energy: -48.599526
where:
bonds (distance) C4'-P energy: -7.736
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -4.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -80.599739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.599739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.599739 (E_RNA)
where:
Base-Base interactions energy: -40.516
where: short stacking energy: -36.798
Base-Backbone interact. energy: -0.128
local terms energy: -39.955932
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: 3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -232.294207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.294207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.294207 (E_RNA)
where:
Base-Base interactions energy: -151.745
where: short stacking energy: -75.320
Base-Backbone interact. energy: -0.610
local terms energy: -79.939266
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -22.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -228.818181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.818181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.818181 (E_RNA)
where:
Base-Base interactions energy: -147.418
where: short stacking energy: -78.936
Base-Backbone interact. energy: -0.264
local terms energy: -81.135775
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -22.057
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: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -227.456323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.456323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.456323 (E_RNA)
where:
Base-Base interactions energy: -152.536
where: short stacking energy: -75.998
Base-Backbone interact. energy: -0.032
local terms energy: -74.888488
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -20.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -216.603701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.603701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.603701 (E_RNA)
where:
Base-Base interactions energy: -144.509
where: short stacking energy: -75.041
Base-Backbone interact. energy: -0.424
local terms energy: -71.670697
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -21.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -191.295658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.295658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.295658 (E_RNA)
where:
Base-Base interactions energy: -122.826
where: short stacking energy: -62.753
Base-Backbone interact. energy: -0.097
local terms energy: -68.372513
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -181.685352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.685352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.685352 (E_RNA)
where:
Base-Base interactions energy: -115.851
where: short stacking energy: -59.137
Base-Backbone interact. energy: -0.219
local terms energy: -65.615289
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -11.572
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: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -171.672508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.672508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.672508 (E_RNA)
where:
Base-Base interactions energy: -111.530
where: short stacking energy: -56.102
Base-Backbone interact. energy: -0.100
local terms energy: -60.042868
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -7.988
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: 8, replica: 3
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -171.997119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.997119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.997119 (E_RNA)
where:
Base-Base interactions energy: -110.964
where: short stacking energy: -56.628
Base-Backbone interact. energy: -0.089
local terms energy: -60.944301
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -95.663686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.663686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.663686 (E_RNA)
where:
Base-Base interactions energy: -37.424
where: short stacking energy: -36.516
Base-Backbone interact. energy: -0.143
local terms energy: -58.095864
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -10.360
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: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -82.003931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.003931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.003931 (E_RNA)
where:
Base-Base interactions energy: -36.711
where: short stacking energy: -35.076
Base-Backbone interact. energy: -0.068
local terms energy: -45.225295
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -230.846128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.846128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.846128 (E_RNA)
where:
Base-Base interactions energy: -150.117
where: short stacking energy: -75.969
Base-Backbone interact. energy: -0.791
local terms energy: -79.937973
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -230.653775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.653775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.653775 (E_RNA)
where:
Base-Base interactions energy: -155.151
where: short stacking energy: -82.029
Base-Backbone interact. energy: -0.487
local terms energy: -75.015453
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -20.148
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: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -224.644590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.644590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.644590 (E_RNA)
where:
Base-Base interactions energy: -149.989
where: short stacking energy: -75.872
Base-Backbone interact. energy: -0.048
local terms energy: -74.607378
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -10.301
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: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -216.975704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.975704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.975704 (E_RNA)
where:
Base-Base interactions energy: -144.258
where: short stacking energy: -80.110
Base-Backbone interact. energy: 0.265
local terms energy: -72.982267
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -20.627
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: 7
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -192.233183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.233183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.233183 (E_RNA)
where:
Base-Base interactions energy: -125.834
where: short stacking energy: -67.429
Base-Backbone interact. energy: 0.369
local terms energy: -66.767985
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -16.641
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: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -165.680387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.680387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.680387 (E_RNA)
where:
Base-Base interactions energy: -111.673
where: short stacking energy: -51.178
Base-Backbone interact. energy: -0.187
local terms energy: -53.821193
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -7.134
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: 7, replica: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -170.491628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.491628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.491628 (E_RNA)
where:
Base-Base interactions energy: -105.343
where: short stacking energy: -55.797
Base-Backbone interact. energy: 0.307
local terms energy: -65.455814
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -174.832692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.832692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.832692 (E_RNA)
where:
Base-Base interactions energy: -118.012
where: short stacking energy: -53.674
Base-Backbone interact. energy: -0.133
local terms energy: -56.687524
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -10.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -98.897191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.897191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.897191 (E_RNA)
where:
Base-Base interactions energy: -52.384
where: short stacking energy: -37.935
Base-Backbone interact. energy: -0.312
local terms energy: -46.201416
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -90.235392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.235392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.235392 (E_RNA)
where:
Base-Base interactions energy: -35.249
where: short stacking energy: -33.333
Base-Backbone interact. energy: -0.014
local terms energy: -54.972463
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -232.077653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.077653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.077653 (E_RNA)
where:
Base-Base interactions energy: -154.882
where: short stacking energy: -79.611
Base-Backbone interact. energy: -0.850
local terms energy: -76.345912
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -230.728123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.728123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.728123 (E_RNA)
where:
Base-Base interactions energy: -150.026
where: short stacking energy: -74.561
Base-Backbone interact. energy: -0.329
local terms energy: -80.373176
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -228.603133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.603133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.603133 (E_RNA)
where:
Base-Base interactions energy: -148.968
where: short stacking energy: -81.575
Base-Backbone interact. energy: -1.132
local terms energy: -78.502990
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -215.522383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.522383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.522383 (E_RNA)
where:
Base-Base interactions energy: -140.359
where: short stacking energy: -69.682
Base-Backbone interact. energy: -0.296
local terms energy: -74.867243
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -180.206499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.206499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.206499 (E_RNA)
where:
Base-Base interactions energy: -110.336
where: short stacking energy: -60.122
Base-Backbone interact. energy: -0.144
local terms energy: -69.726866
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -193.222578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.222578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.222578 (E_RNA)
where:
Base-Base interactions energy: -125.959
where: short stacking energy: -59.135
Base-Backbone interact. energy: -0.106
local terms energy: -67.157043
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -7.749
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: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -186.233013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.233013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.233013 (E_RNA)
where:
Base-Base interactions energy: -126.491
where: short stacking energy: -68.761
Base-Backbone interact. energy: -1.213
local terms energy: -58.528734
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -165.157221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.157221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.157221 (E_RNA)
where:
Base-Base interactions energy: -108.073
where: short stacking energy: -34.301
Base-Backbone interact. energy: -0.164
local terms energy: -56.919296
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -90.799623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.799623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.799623 (E_RNA)
where:
Base-Base interactions energy: -40.999
where: short stacking energy: -40.999
Base-Backbone interact. energy: -0.077
local terms energy: -49.723570
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -4.640
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -2.391
tors. eta vs tors. theta energy: -11.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -78.379651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.379651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.379651 (E_RNA)
where:
Base-Base interactions energy: -24.706
where: short stacking energy: -23.737
Base-Backbone interact. energy: 0.268
local terms energy: -53.941091
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -237.448014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.448014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.448014 (E_RNA)
where:
Base-Base interactions energy: -162.895
where: short stacking energy: -85.905
Base-Backbone interact. energy: -0.593
local terms energy: -73.959990
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -21.285
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: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -226.936902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.936902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.936902 (E_RNA)
where:
Base-Base interactions energy: -150.672
where: short stacking energy: -78.278
Base-Backbone interact. energy: -0.041
local terms energy: -76.223724
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -19.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -214.641406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.641406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.641406 (E_RNA)
where:
Base-Base interactions energy: -142.644
where: short stacking energy: -70.496
Base-Backbone interact. energy: -0.119
local terms energy: -71.877956
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -213.167345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.167345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.167345 (E_RNA)
where:
Base-Base interactions energy: -137.620
where: short stacking energy: -65.870
Base-Backbone interact. energy: -0.085
local terms energy: -75.462258
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -19.780
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: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -198.152572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.152572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.152572 (E_RNA)
where:
Base-Base interactions energy: -127.478
where: short stacking energy: -67.061
Base-Backbone interact. energy: -0.526
local terms energy: -70.148678
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -12.556
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: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -197.265992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.265992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.265992 (E_RNA)
where:
Base-Base interactions energy: -134.348
where: short stacking energy: -60.995
Base-Backbone interact. energy: -0.406
local terms energy: -62.511493
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -9.902
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -11.095
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: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -190.726081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.726081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.726081 (E_RNA)
where:
Base-Base interactions energy: -123.276
where: short stacking energy: -64.374
Base-Backbone interact. energy: -0.002
local terms energy: -67.448326
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -17.192
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: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -157.125557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.125557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.125557 (E_RNA)
where:
Base-Base interactions energy: -101.480
where: short stacking energy: -45.171
Base-Backbone interact. energy: -0.185
local terms energy: -55.459953
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -11.354
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -99.303346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.303346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.303346 (E_RNA)
where:
Base-Base interactions energy: -40.103
where: short stacking energy: -40.103
Base-Backbone interact. energy: -0.127
local terms energy: -59.073834
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -3.732
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: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -82.211377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.211377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.211377 (E_RNA)
where:
Base-Base interactions energy: -41.207
where: short stacking energy: -32.639
Base-Backbone interact. energy: -0.596
local terms energy: -40.408054
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -235.868339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.868339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.868339 (E_RNA)
where:
Base-Base interactions energy: -161.576
where: short stacking energy: -77.813
Base-Backbone interact. energy: -0.178
local terms energy: -74.113981
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -212.009514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.009514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.009514 (E_RNA)
where:
Base-Base interactions energy: -143.475
where: short stacking energy: -67.857
Base-Backbone interact. energy: -0.320
local terms energy: -68.215122
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -227.953650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.953650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.953650 (E_RNA)
where:
Base-Base interactions energy: -148.344
where: short stacking energy: -79.169
Base-Backbone interact. energy: -0.001
local terms energy: -79.608728
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -24.102
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: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -207.959069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.959069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.959069 (E_RNA)
where:
Base-Base interactions energy: -140.761
where: short stacking energy: -68.497
Base-Backbone interact. energy: -0.094
local terms energy: -67.104281
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -18.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -193.759972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.759972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.759972 (E_RNA)
where:
Base-Base interactions energy: -131.173
where: short stacking energy: -55.533
Base-Backbone interact. energy: -0.125
local terms energy: -62.462338
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -9.469
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: 6, replica: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -192.919121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.919121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.919121 (E_RNA)
where:
Base-Base interactions energy: -135.892
where: short stacking energy: -62.665
Base-Backbone interact. energy: -0.055
local terms energy: -56.971835
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -11.005
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -12.593
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: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -189.873719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.873719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.873719 (E_RNA)
where:
Base-Base interactions energy: -124.734
where: short stacking energy: -59.550
Base-Backbone interact. energy: -0.418
local terms energy: -64.721416
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -15.072
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: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -88.903590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.903590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.903590 (E_RNA)
where:
Base-Base interactions energy: -41.692
where: short stacking energy: -41.892
Base-Backbone interact. energy: -0.386
local terms energy: -46.825426
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -7.411
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -121.713870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.713870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.713870 (E_RNA)
where:
Base-Base interactions energy: -63.629
where: short stacking energy: -41.191
Base-Backbone interact. energy: -0.169
local terms energy: -57.916365
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -78.682342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.682342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.682342 (E_RNA)
where:
Base-Base interactions energy: -35.487
where: short stacking energy: -25.754
Base-Backbone interact. energy: -0.450
local terms energy: -42.745854
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -1.394
tors. eta vs tors. theta energy: -1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -228.716699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.716699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.716699 (E_RNA)
where:
Base-Base interactions energy: -151.127
where: short stacking energy: -73.569
Base-Backbone interact. energy: -0.012
local terms energy: -77.578002
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -230.611403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.611403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.611403 (E_RNA)
where:
Base-Base interactions energy: -153.769
where: short stacking energy: -77.176
Base-Backbone interact. energy: -0.711
local terms energy: -76.131022
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -222.352145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.352145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.352145 (E_RNA)
where:
Base-Base interactions energy: -143.701
where: short stacking energy: -76.912
Base-Backbone interact. energy: -0.995
local terms energy: -77.655681
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -202.901345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.901345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.901345 (E_RNA)
where:
Base-Base interactions energy: -137.681
where: short stacking energy: -68.481
Base-Backbone interact. energy: -0.619
local terms energy: -64.600943
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -203.703242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.703242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.703242 (E_RNA)
where:
Base-Base interactions energy: -134.062
where: short stacking energy: -71.217
Base-Backbone interact. energy: 1.177
local terms energy: -70.818491
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -17.518
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: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -195.886428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.886428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.886428 (E_RNA)
where:
Base-Base interactions energy: -122.727
where: short stacking energy: -58.126
Base-Backbone interact. energy: -0.003
local terms energy: -73.156577
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -194.551460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.551460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.551460 (E_RNA)
where:
Base-Base interactions energy: -131.982
where: short stacking energy: -74.934
Base-Backbone interact. energy: -0.007
local terms energy: -62.562438
where:
bonds (distance) C4'-P energy: -7.479
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -17.722
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: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -107.898878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.898878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.898878 (E_RNA)
where:
Base-Base interactions energy: -49.182
where: short stacking energy: -43.937
Base-Backbone interact. energy: 1.934
local terms energy: -60.650634
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -8.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -103.609853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.609853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.609853 (E_RNA)
where:
Base-Base interactions energy: -42.546
where: short stacking energy: -40.274
Base-Backbone interact. energy: -0.088
local terms energy: -60.975086
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -12.203
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: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -94.492001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.492001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.492001 (E_RNA)
where:
Base-Base interactions energy: -41.950
where: short stacking energy: -41.950
Base-Backbone interact. energy: -0.111
local terms energy: -52.431315
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -5.288
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: 117
Temperature: 0.900000
Total energy: -224.087433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.087433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.087433 (E_RNA)
where:
Base-Base interactions energy: -143.986
where: short stacking energy: -71.627
Base-Backbone interact. energy: -0.118
local terms energy: -79.984079
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -19.725
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: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -231.309531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.309531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.309531 (E_RNA)
where:
Base-Base interactions energy: -155.486
where: short stacking energy: -78.428
Base-Backbone interact. energy: -0.003
local terms energy: -75.820020
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -20.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -231.096302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.096302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.096302 (E_RNA)
where:
Base-Base interactions energy: -151.320
where: short stacking energy: -76.380
Base-Backbone interact. energy: -0.000
local terms energy: -79.775752
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -22.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -218.022878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.022878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.022878 (E_RNA)
where:
Base-Base interactions energy: -146.980
where: short stacking energy: -76.640
Base-Backbone interact. energy: -0.015
local terms energy: -71.027296
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -198.600129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.600129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.600129 (E_RNA)
where:
Base-Base interactions energy: -129.137
where: short stacking energy: -68.909
Base-Backbone interact. energy: -0.140
local terms energy: -69.323405
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -184.744019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.744019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.744019 (E_RNA)
where:
Base-Base interactions energy: -121.302
where: short stacking energy: -55.736
Base-Backbone interact. energy: -0.051
local terms energy: -63.391226
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -195.533761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.533761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.533761 (E_RNA)
where:
Base-Base interactions energy: -124.485
where: short stacking energy: -65.929
Base-Backbone interact. energy: -0.089
local terms energy: -70.960209
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -14.330
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: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -91.757531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.757531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.757531 (E_RNA)
where:
Base-Base interactions energy: -41.554
where: short stacking energy: -31.934
Base-Backbone interact. energy: 0.256
local terms energy: -50.459964
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -2.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -92.450738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.450738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.450738 (E_RNA)
where:
Base-Base interactions energy: -45.166
where: short stacking energy: -34.613
Base-Backbone interact. energy: -0.120
local terms energy: -47.165390
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -78.852342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.852342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.852342 (E_RNA)
where:
Base-Base interactions energy: -25.568
where: short stacking energy: -24.575
Base-Backbone interact. energy: -0.030
local terms energy: -53.254828
where:
bonds (distance) C4'-P energy: -8.451
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -7.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -238.021775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.021775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.021775 (E_RNA)
where:
Base-Base interactions energy: -159.457
where: short stacking energy: -78.310
Base-Backbone interact. energy: -0.145
local terms energy: -78.419706
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -23.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -226.639918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.639918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.639918 (E_RNA)
where:
Base-Base interactions energy: -153.321
where: short stacking energy: -80.353
Base-Backbone interact. energy: -0.634
local terms energy: -72.685340
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -222.654985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.654985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.654985 (E_RNA)
where:
Base-Base interactions energy: -142.480
where: short stacking energy: -77.695
Base-Backbone interact. energy: -0.123
local terms energy: -80.051471
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -225.832769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.832769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.832769 (E_RNA)
where:
Base-Base interactions energy: -156.003
where: short stacking energy: -83.033
Base-Backbone interact. energy: -0.001
local terms energy: -69.828062
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -17.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -202.714324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.714324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.714324 (E_RNA)
where:
Base-Base interactions energy: -137.566
where: short stacking energy: -65.229
Base-Backbone interact. energy: -0.160
local terms energy: -64.988030
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -7.098
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: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -204.703292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.703292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.703292 (E_RNA)
where:
Base-Base interactions energy: -138.674
where: short stacking energy: -69.503
Base-Backbone interact. energy: -1.128
local terms energy: -64.901659
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -203.710485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.710485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.710485 (E_RNA)
where:
Base-Base interactions energy: -131.462
where: short stacking energy: -69.737
Base-Backbone interact. energy: -0.004
local terms energy: -72.244007
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -20.527
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: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -87.077706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.077706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.077706 (E_RNA)
where:
Base-Base interactions energy: -34.789
where: short stacking energy: -34.789
Base-Backbone interact. energy: -0.024
local terms energy: -52.264558
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -97.190496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.190496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.190496 (E_RNA)
where:
Base-Base interactions energy: -40.970
where: short stacking energy: -38.782
Base-Backbone interact. energy: -0.055
local terms energy: -56.166076
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -9.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -91.974853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.974853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.974853 (E_RNA)
where:
Base-Base interactions energy: -45.793
where: short stacking energy: -30.963
Base-Backbone interact. energy: -0.212
local terms energy: -45.969430
where:
bonds (distance) C4'-P energy: -8.850
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -227.554754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.554754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.554754 (E_RNA)
where:
Base-Base interactions energy: -151.363
where: short stacking energy: -81.156
Base-Backbone interact. energy: -0.005
local terms energy: -76.187179
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -21.173
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: 119
Temperature: 0.950000
Total energy: -218.076155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.076155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.076155 (E_RNA)
where:
Base-Base interactions energy: -142.919
where: short stacking energy: -67.904
Base-Backbone interact. energy: -0.178
local terms energy: -74.979029
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -225.883317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.883317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.883317 (E_RNA)
where:
Base-Base interactions energy: -151.894
where: short stacking energy: -76.017
Base-Backbone interact. energy: -0.015
local terms energy: -73.973858
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -19.034
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: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -229.150218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.150218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.150218 (E_RNA)
where:
Base-Base interactions energy: -154.069
where: short stacking energy: -76.983
Base-Backbone interact. energy: 0.271
local terms energy: -75.351270
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -21.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -199.365385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.365385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.365385 (E_RNA)
where:
Base-Base interactions energy: -133.297
where: short stacking energy: -64.964
Base-Backbone interact. energy: -0.473
local terms energy: -65.595617
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -10.283
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: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -211.536277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.536277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.536277 (E_RNA)
where:
Base-Base interactions energy: -135.676
where: short stacking energy: -76.658
Base-Backbone interact. energy: -0.099
local terms energy: -75.760801
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -22.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -169.116024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.116024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.116024 (E_RNA)
where:
Base-Base interactions energy: -105.103
where: short stacking energy: -52.759
Base-Backbone interact. energy: -0.055
local terms energy: -63.957823
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -11.051
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: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -97.000354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.000354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.000354 (E_RNA)
where:
Base-Base interactions energy: -55.763
where: short stacking energy: -32.858
Base-Backbone interact. energy: -0.431
local terms energy: -40.806638
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -8.129
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: 1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -94.245147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.245147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.245147 (E_RNA)
where:
Base-Base interactions energy: -34.522
where: short stacking energy: -34.522
Base-Backbone interact. energy: -0.207
local terms energy: -59.516077
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -10.375
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: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -88.742272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.742272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.742272 (E_RNA)
where:
Base-Base interactions energy: -46.237
where: short stacking energy: -33.086
Base-Backbone interact. energy: -0.113
local terms energy: -42.392223
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -0.278
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: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -231.472673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.472673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.472673 (E_RNA)
where:
Base-Base interactions energy: -160.048
where: short stacking energy: -74.946
Base-Backbone interact. energy: -0.006
local terms energy: -71.419044
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -229.034009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.034009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.034009 (E_RNA)
where:
Base-Base interactions energy: -151.706
where: short stacking energy: -72.317
Base-Backbone interact. energy: -0.359
local terms energy: -76.969417
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -21.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -231.009453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.009453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.009453 (E_RNA)
where:
Base-Base interactions energy: -154.831
where: short stacking energy: -79.204
Base-Backbone interact. energy: -0.293
local terms energy: -75.885842
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -207.995322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.995322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.995322 (E_RNA)
where:
Base-Base interactions energy: -140.427
where: short stacking energy: -67.740
Base-Backbone interact. energy: -0.025
local terms energy: -67.543190
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -8.702
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: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -188.293850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.293850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.293850 (E_RNA)
where:
Base-Base interactions energy: -116.580
where: short stacking energy: -50.883
Base-Backbone interact. energy: -1.530
local terms energy: -70.183283
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -12.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -185.164103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.164103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.164103 (E_RNA)
where:
Base-Base interactions energy: -114.432
where: short stacking energy: -55.473
Base-Backbone interact. energy: -0.099
local terms energy: -70.633013
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -13.296
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: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -173.668966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.668966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.668966 (E_RNA)
where:
Base-Base interactions energy: -101.869
where: short stacking energy: -41.384
Base-Backbone interact. energy: -1.384
local terms energy: -70.416075
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -12.116
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: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -103.595502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.595502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.595502 (E_RNA)
where:
Base-Base interactions energy: -46.214
where: short stacking energy: -44.251
Base-Backbone interact. energy: -0.015
local terms energy: -57.365655
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -14.428
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: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -93.386543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.386543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.386543 (E_RNA)
where:
Base-Base interactions energy: -40.531
where: short stacking energy: -34.594
Base-Backbone interact. energy: -0.890
local terms energy: -51.965434
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -7.491
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: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -82.844932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.844932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.844932 (E_RNA)
where:
Base-Base interactions energy: -36.123
where: short stacking energy: -23.148
Base-Backbone interact. energy: -0.991
local terms energy: -45.731078
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: 0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -221.193989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.193989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.193989 (E_RNA)
where:
Base-Base interactions energy: -146.901
where: short stacking energy: -71.977
Base-Backbone interact. energy: -0.027
local terms energy: -74.265742
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -238.145331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.145331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.145331 (E_RNA)
where:
Base-Base interactions energy: -153.892
where: short stacking energy: -78.407
Base-Backbone interact. energy: -0.003
local terms energy: -84.250589
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -19.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -224.753814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.753814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.753814 (E_RNA)
where:
Base-Base interactions energy: -148.977
where: short stacking energy: -79.206
Base-Backbone interact. energy: -1.055
local terms energy: -74.721387
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -8.898
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: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -204.041693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.041693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.041693 (E_RNA)
where:
Base-Base interactions energy: -146.491
where: short stacking energy: -64.463
Base-Backbone interact. energy: -0.328
local terms energy: -57.222115
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -15.727
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: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -202.241251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.241251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.241251 (E_RNA)
where:
Base-Base interactions energy: -129.420
where: short stacking energy: -65.442
Base-Backbone interact. energy: -0.924
local terms energy: -71.896758
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -11.392
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: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -190.968352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.968352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.968352 (E_RNA)
where:
Base-Base interactions energy: -128.173
where: short stacking energy: -61.588
Base-Backbone interact. energy: -0.458
local terms energy: -62.337553
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -6.377
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: 7, replica: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -178.530327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.530327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.530327 (E_RNA)
where:
Base-Base interactions energy: -114.574
where: short stacking energy: -55.995
Base-Backbone interact. energy: -0.099
local terms energy: -63.857781
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -89.768952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.768952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.768952 (E_RNA)
where:
Base-Base interactions energy: -38.763
where: short stacking energy: -39.617
Base-Backbone interact. energy: 2.279
local terms energy: -53.284888
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -8.719
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: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -97.684836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.684836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.684836 (E_RNA)
where:
Base-Base interactions energy: -47.159
where: short stacking energy: -31.217
Base-Backbone interact. energy: 0.296
local terms energy: -50.822070
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -3.784
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -90.504925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.504925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.504925 (E_RNA)
where:
Base-Base interactions energy: -38.703
where: short stacking energy: -35.262
Base-Backbone interact. energy: -0.768
local terms energy: -51.033697
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -1.765
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -238.190991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.190991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.190991 (E_RNA)
where:
Base-Base interactions energy: -159.171
where: short stacking energy: -84.328
Base-Backbone interact. energy: -0.938
local terms energy: -78.082500
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -23.690
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: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -221.143640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.143640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.143640 (E_RNA)
where:
Base-Base interactions energy: -141.581
where: short stacking energy: -66.616
Base-Backbone interact. energy: -0.755
local terms energy: -78.807253
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -210.085528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.085528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.085528 (E_RNA)
where:
Base-Base interactions energy: -135.155
where: short stacking energy: -64.765
Base-Backbone interact. energy: -0.037
local terms energy: -74.893927
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -10.661
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: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -207.735743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.735743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.735743 (E_RNA)
where:
Base-Base interactions energy: -132.885
where: short stacking energy: -67.476
Base-Backbone interact. energy: -0.172
local terms energy: -74.678915
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -217.068881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.068881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.068881 (E_RNA)
where:
Base-Base interactions energy: -148.278
where: short stacking energy: -75.081
Base-Backbone interact. energy: -0.009
local terms energy: -68.782456
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -16.671
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: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -180.114457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.114457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.114457 (E_RNA)
where:
Base-Base interactions energy: -112.665
where: short stacking energy: -61.302
Base-Backbone interact. energy: -0.005
local terms energy: -67.444684
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -17.687
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: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -209.364451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.364451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.364451 (E_RNA)
where:
Base-Base interactions energy: -142.841
where: short stacking energy: -63.262
Base-Backbone interact. energy: -0.213
local terms energy: -66.311149
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -95.404421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.404421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.404421 (E_RNA)
where:
Base-Base interactions energy: -48.332
where: short stacking energy: -33.455
Base-Backbone interact. energy: -0.099
local terms energy: -46.973549
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -4.294
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -6.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -87.507487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.507487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.507487 (E_RNA)
where:
Base-Base interactions energy: -37.761
where: short stacking energy: -28.517
Base-Backbone interact. energy: -0.143
local terms energy: -49.603687
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -82.801461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.801461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.801461 (E_RNA)
where:
Base-Base interactions energy: -33.013
where: short stacking energy: -19.047
Base-Backbone interact. energy: 0.598
local terms energy: -50.387026
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -234.568435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.568435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.568435 (E_RNA)
where:
Base-Base interactions energy: -157.474
where: short stacking energy: -82.421
Base-Backbone interact. energy: -0.003
local terms energy: -77.091753
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -229.239076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.239076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.239076 (E_RNA)
where:
Base-Base interactions energy: -150.320
where: short stacking energy: -78.533
Base-Backbone interact. energy: -0.124
local terms energy: -78.795096
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -212.382191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.382191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.382191 (E_RNA)
where:
Base-Base interactions energy: -135.963
where: short stacking energy: -75.128
Base-Backbone interact. energy: -0.007
local terms energy: -76.412716
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -12.550
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: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -221.696629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.696629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.696629 (E_RNA)
where:
Base-Base interactions energy: -148.415
where: short stacking energy: -75.312
Base-Backbone interact. energy: 0.552
local terms energy: -73.833619
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -21.581
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: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -182.547669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.547669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.547669 (E_RNA)
where:
Base-Base interactions energy: -120.576
where: short stacking energy: -51.519
Base-Backbone interact. energy: -0.778
local terms energy: -61.193992
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -206.309963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.309963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.309963 (E_RNA)
where:
Base-Base interactions energy: -128.762
where: short stacking energy: -65.615
Base-Backbone interact. energy: -0.129
local terms energy: -77.419037
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -177.430961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.430961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.430961 (E_RNA)
where:
Base-Base interactions energy: -118.161
where: short stacking energy: -63.096
Base-Backbone interact. energy: -0.194
local terms energy: -59.076182
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -15.590
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: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -98.337399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.337399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.337399 (E_RNA)
where:
Base-Base interactions energy: -38.184
where: short stacking energy: -38.184
Base-Backbone interact. energy: -0.126
local terms energy: -60.027655
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -100.559028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.559028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.559028 (E_RNA)
where:
Base-Base interactions energy: -57.826
where: short stacking energy: -38.972
Base-Backbone interact. energy: 0.551
local terms energy: -43.283992
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -87.322286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.322286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.322286 (E_RNA)
where:
Base-Base interactions energy: -37.039
where: short stacking energy: -26.597
Base-Backbone interact. energy: -0.453
local terms energy: -49.830908
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -235.331548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.331548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.331548 (E_RNA)
where:
Base-Base interactions energy: -153.328
where: short stacking energy: -76.455
Base-Backbone interact. energy: -0.006
local terms energy: -81.997448
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -22.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -229.829787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.829787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.829787 (E_RNA)
where:
Base-Base interactions energy: -155.509
where: short stacking energy: -77.638
Base-Backbone interact. energy: -0.056
local terms energy: -74.265103
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -23.253
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: 124
Temperature: 1.000000
Total energy: -203.206615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.206615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.206615 (E_RNA)
where:
Base-Base interactions energy: -135.987
where: short stacking energy: -64.790
Base-Backbone interact. energy: -0.009
local terms energy: -67.210768
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -8.540
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -209.822457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.822457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.822457 (E_RNA)
where:
Base-Base interactions energy: -136.983
where: short stacking energy: -68.864
Base-Backbone interact. energy: -0.005
local terms energy: -72.834134
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -17.488
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: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -193.617896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.617896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.617896 (E_RNA)
where:
Base-Base interactions energy: -123.185
where: short stacking energy: -64.361
Base-Backbone interact. energy: -0.437
local terms energy: -69.995894
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -6.903
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: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -204.526983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.526983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.526983 (E_RNA)
where:
Base-Base interactions energy: -132.406
where: short stacking energy: -67.071
Base-Backbone interact. energy: -0.112
local terms energy: -72.008842
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -14.173
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: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -185.874809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.874809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.874809 (E_RNA)
where:
Base-Base interactions energy: -117.919
where: short stacking energy: -66.915
Base-Backbone interact. energy: -0.001
local terms energy: -67.954842
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -103.727942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.727942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.727942 (E_RNA)
where:
Base-Base interactions energy: -56.405
where: short stacking energy: -38.623
Base-Backbone interact. energy: -0.345
local terms energy: -46.978296
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -1.140
tors. eta vs tors. theta energy: -3.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -96.509920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.509920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.509920 (E_RNA)
where:
Base-Base interactions energy: -48.757
where: short stacking energy: -43.304
Base-Backbone interact. energy: -0.043
local terms energy: -47.710210
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -7.277
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -87.809899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.809899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.809899 (E_RNA)
where:
Base-Base interactions energy: -37.084
where: short stacking energy: -29.827
Base-Backbone interact. energy: -0.045
local terms energy: -50.680747
where:
bonds (distance) C4'-P energy: -7.200
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -8.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -232.934801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.934801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.934801 (E_RNA)
where:
Base-Base interactions energy: -152.737
where: short stacking energy: -75.057
Base-Backbone interact. energy: -0.001
local terms energy: -80.197012
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -226.364843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.364843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.364843 (E_RNA)
where:
Base-Base interactions energy: -143.186
where: short stacking energy: -71.122
Base-Backbone interact. energy: -0.013
local terms energy: -83.166127
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -213.289519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.289519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.289519 (E_RNA)
where:
Base-Base interactions energy: -138.317
where: short stacking energy: -61.607
Base-Backbone interact. energy: 0.350
local terms energy: -75.322252
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -15.437
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: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -210.269197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.269197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.269197 (E_RNA)
where:
Base-Base interactions energy: -135.446
where: short stacking energy: -65.794
Base-Backbone interact. energy: -0.004
local terms energy: -74.819904
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -188.965911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.965911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.965911 (E_RNA)
where:
Base-Base interactions energy: -115.952
where: short stacking energy: -60.692
Base-Backbone interact. energy: -0.017
local terms energy: -72.996958
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -15.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -182.633768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.633768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.633768 (E_RNA)
where:
Base-Base interactions energy: -121.656
where: short stacking energy: -62.672
Base-Backbone interact. energy: -0.094
local terms energy: -60.883797
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -199.366070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.366070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.366070 (E_RNA)
where:
Base-Base interactions energy: -131.695
where: short stacking energy: -69.846
Base-Backbone interact. energy: -0.018
local terms energy: -67.653190
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -8.233
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: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -99.226937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.226937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.226937 (E_RNA)
where:
Base-Base interactions energy: -46.154
where: short stacking energy: -46.154
Base-Backbone interact. energy: -0.023
local terms energy: -53.049825
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -8.966
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: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -91.002441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.002441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.002441 (E_RNA)
where:
Base-Base interactions energy: -35.322
where: short stacking energy: -35.322
Base-Backbone interact. energy: -0.081
local terms energy: -55.599244
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -112.514223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.514223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.514223 (E_RNA)
where:
Base-Base interactions energy: -55.401
where: short stacking energy: -49.520
Base-Backbone interact. energy: -0.082
local terms energy: -57.031615
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -9.067
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: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -237.480914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.480914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.480914 (E_RNA)
where:
Base-Base interactions energy: -159.559
where: short stacking energy: -78.445
Base-Backbone interact. energy: -0.156
local terms energy: -77.765663
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -19.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -221.961270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.961270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.961270 (E_RNA)
where:
Base-Base interactions energy: -148.740
where: short stacking energy: -82.591
Base-Backbone interact. energy: -0.001
local terms energy: -73.219666
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -213.590336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.590336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.590336 (E_RNA)
where:
Base-Base interactions energy: -139.035
where: short stacking energy: -68.009
Base-Backbone interact. energy: -0.027
local terms energy: -74.528657
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -18.162
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: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -209.288421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.288421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.288421 (E_RNA)
where:
Base-Base interactions energy: -142.046
where: short stacking energy: -67.999
Base-Backbone interact. energy: -0.102
local terms energy: -67.140343
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -178.950201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.950201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.950201 (E_RNA)
where:
Base-Base interactions energy: -113.102
where: short stacking energy: -54.857
Base-Backbone interact. energy: -0.088
local terms energy: -65.760278
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -13.775
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: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -188.631817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.631817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.631817 (E_RNA)
where:
Base-Base interactions energy: -120.192
where: short stacking energy: -53.857
Base-Backbone interact. energy: -0.009
local terms energy: -68.430969
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -178.983896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.983896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.983896 (E_RNA)
where:
Base-Base interactions energy: -117.014
where: short stacking energy: -62.834
Base-Backbone interact. energy: -0.291
local terms energy: -61.679668
where:
bonds (distance) C4'-P energy: -4.859
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -104.748598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.748598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.748598 (E_RNA)
where:
Base-Base interactions energy: -44.566
where: short stacking energy: -44.566
Base-Backbone interact. energy: -0.048
local terms energy: -60.135231
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -9.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -93.715015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.715015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.715015 (E_RNA)
where:
Base-Base interactions energy: -45.910
where: short stacking energy: -45.910
Base-Backbone interact. energy: -0.791
local terms energy: -47.013906
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -4.265
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -84.185908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.185908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.185908 (E_RNA)
where:
Base-Base interactions energy: -38.728
where: short stacking energy: -32.560
Base-Backbone interact. energy: 2.803
local terms energy: -48.261487
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -8.068
flat angles P-C4'-P energy: -6.956
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: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -236.195380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.195380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.195380 (E_RNA)
where:
Base-Base interactions energy: -156.084
where: short stacking energy: -76.424
Base-Backbone interact. energy: -0.204
local terms energy: -79.907187
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -22.659
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: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -225.773844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.773844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.773844 (E_RNA)
where:
Base-Base interactions energy: -149.159
where: short stacking energy: -76.853
Base-Backbone interact. energy: -0.000
local terms energy: -76.614106
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -221.127555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.127555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.127555 (E_RNA)
where:
Base-Base interactions energy: -146.414
where: short stacking energy: -80.094
Base-Backbone interact. energy: -0.035
local terms energy: -74.678204
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -196.781179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.781179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.781179 (E_RNA)
where:
Base-Base interactions energy: -128.304
where: short stacking energy: -61.535
Base-Backbone interact. energy: -0.018
local terms energy: -68.459482
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -12.499
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: 127
Temperature: 1.100000
Total energy: -213.978067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.978067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.978067 (E_RNA)
where:
Base-Base interactions energy: -140.546
where: short stacking energy: -66.697
Base-Backbone interact. energy: -0.002
local terms energy: -73.430379
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -171.717072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.717072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.717072 (E_RNA)
where:
Base-Base interactions energy: -109.971
where: short stacking energy: -59.408
Base-Backbone interact. energy: -0.049
local terms energy: -61.696945
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -167.516268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.516268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.516268 (E_RNA)
where:
Base-Base interactions energy: -109.374
where: short stacking energy: -51.070
Base-Backbone interact. energy: 0.936
local terms energy: -59.078030
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -14.515
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: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -91.650962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.650962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.650962 (E_RNA)
where:
Base-Base interactions energy: -41.836
where: short stacking energy: -35.830
Base-Backbone interact. energy: -0.882
local terms energy: -48.932967
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -92.669451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.669451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.669451 (E_RNA)
where:
Base-Base interactions energy: -34.526
where: short stacking energy: -33.205
Base-Backbone interact. energy: -0.001
local terms energy: -58.142723
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -7.035
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: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -99.829880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.829880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.829880 (E_RNA)
where:
Base-Base interactions energy: -43.976
where: short stacking energy: -28.316
Base-Backbone interact. energy: -0.228
local terms energy: -55.626191
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -232.875355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.875355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.875355 (E_RNA)
where:
Base-Base interactions energy: -155.679
where: short stacking energy: -78.445
Base-Backbone interact. energy: -0.217
local terms energy: -76.979192
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -20.670
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: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -237.866675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.866675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.866675 (E_RNA)
where:
Base-Base interactions energy: -153.642
where: short stacking energy: -76.439
Base-Backbone interact. energy: -0.401
local terms energy: -83.824210
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -214.483589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.483589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.483589 (E_RNA)
where:
Base-Base interactions energy: -142.042
where: short stacking energy: -74.411
Base-Backbone interact. energy: -0.725
local terms energy: -71.716388
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -11.316
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: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -198.717683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.717683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.717683 (E_RNA)
where:
Base-Base interactions energy: -131.401
where: short stacking energy: -60.201
Base-Backbone interact. energy: -0.074
local terms energy: -67.242738
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -13.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -202.090025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.090025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.090025 (E_RNA)
where:
Base-Base interactions energy: -141.603
where: short stacking energy: -70.569
Base-Backbone interact. energy: -0.020
local terms energy: -60.467042
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -5.469
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -15.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -178.071327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.071327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.071327 (E_RNA)
where:
Base-Base interactions energy: -111.920
where: short stacking energy: -54.404
Base-Backbone interact. energy: -0.184
local terms energy: -65.967491
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -10.181
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: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -164.644585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.644585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.644585 (E_RNA)
where:
Base-Base interactions energy: -101.343
where: short stacking energy: -50.922
Base-Backbone interact. energy: 0.034
local terms energy: -63.335922
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -13.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -113.140914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.140914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.140914 (E_RNA)
where:
Base-Base interactions energy: -59.036
where: short stacking energy: -32.421
Base-Backbone interact. energy: -0.192
local terms energy: -53.913164
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -95.022675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.022675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.022675 (E_RNA)
where:
Base-Base interactions energy: -46.180
where: short stacking energy: -46.280
Base-Backbone interact. energy: -0.062
local terms energy: -48.781233
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -8.394
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -84.422931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.422931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.422931 (E_RNA)
where:
Base-Base interactions energy: -39.495
where: short stacking energy: -39.495
Base-Backbone interact. energy: -0.358
local terms energy: -44.570240
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -5.173
flat angles P-C4'-P energy: -3.673
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: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -233.343332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.343332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.343332 (E_RNA)
where:
Base-Base interactions energy: -152.854
where: short stacking energy: -78.591
Base-Backbone interact. energy: -0.007
local terms energy: -80.482694
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -22.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -221.818350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.818350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.818350 (E_RNA)
where:
Base-Base interactions energy: -149.162
where: short stacking energy: -69.171
Base-Backbone interact. energy: -0.448
local terms energy: -72.208014
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -18.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -228.758048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.758048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.758048 (E_RNA)
where:
Base-Base interactions energy: -151.965
where: short stacking energy: -74.291
Base-Backbone interact. energy: -0.009
local terms energy: -76.784043
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -22.209
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: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -227.094697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.094697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.094697 (E_RNA)
where:
Base-Base interactions energy: -152.001
where: short stacking energy: -76.165
Base-Backbone interact. energy: -0.040
local terms energy: -75.053788
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -22.352
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: 129
Temperature: 1.100000
Total energy: -205.357288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.357288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.357288 (E_RNA)
where:
Base-Base interactions energy: -133.747
where: short stacking energy: -72.225
Base-Backbone interact. energy: -0.431
local terms energy: -71.179090
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -181.103904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.103904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.103904 (E_RNA)
where:
Base-Base interactions energy: -114.938
where: short stacking energy: -59.626
Base-Backbone interact. energy: -0.123
local terms energy: -66.043140
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -11.386
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: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -191.906170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.906170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.906170 (E_RNA)
where:
Base-Base interactions energy: -123.536
where: short stacking energy: -60.174
Base-Backbone interact. energy: -0.012
local terms energy: -68.358186
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -14.983
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: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -102.538822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.538822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.538822 (E_RNA)
where:
Base-Base interactions energy: -50.643
where: short stacking energy: -50.643
Base-Backbone interact. energy: -0.001
local terms energy: -51.894408
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -106.747540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.747540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.747540 (E_RNA)
where:
Base-Base interactions energy: -48.194
where: short stacking energy: -44.623
Base-Backbone interact. energy: -0.565
local terms energy: -57.988560
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -80.835402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.835402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.835402 (E_RNA)
where:
Base-Base interactions energy: -33.708
where: short stacking energy: -22.838
Base-Backbone interact. energy: -0.280
local terms energy: -46.847498
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: 2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -220.845867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.845867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.845867 (E_RNA)
where:
Base-Base interactions energy: -152.503
where: short stacking energy: -70.379
Base-Backbone interact. energy: -0.049
local terms energy: -68.293783
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -15.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -224.092169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.092169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.092169 (E_RNA)
where:
Base-Base interactions energy: -147.352
where: short stacking energy: -74.259
Base-Backbone interact. energy: -0.009
local terms energy: -76.731543
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -23.312
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: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -218.459188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.459188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.459188 (E_RNA)
where:
Base-Base interactions energy: -138.979
where: short stacking energy: -71.420
Base-Backbone interact. energy: -0.019
local terms energy: -79.461339
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -13.087
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: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -225.372499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.372499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.372499 (E_RNA)
where:
Base-Base interactions energy: -151.450
where: short stacking energy: -76.088
Base-Backbone interact. energy: -0.281
local terms energy: -73.641465
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -211.211587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.211587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.211587 (E_RNA)
where:
Base-Base interactions energy: -139.029
where: short stacking energy: -63.287
Base-Backbone interact. energy: -0.125
local terms energy: -72.056916
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -8.733
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: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -178.636623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.636623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.636623 (E_RNA)
where:
Base-Base interactions energy: -113.040
where: short stacking energy: -57.362
Base-Backbone interact. energy: 0.245
local terms energy: -65.841999
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -197.029590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.029590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.029590 (E_RNA)
where:
Base-Base interactions energy: -132.767
where: short stacking energy: -56.398
Base-Backbone interact. energy: 0.892
local terms energy: -65.154423
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -12.726
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: 130
Temperature: 1.250000
Total energy: -85.863451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.863451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.863451 (E_RNA)
where:
Base-Base interactions energy: -38.195
where: short stacking energy: -38.195
Base-Backbone interact. energy: -0.135
local terms energy: -47.533866
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -2.750
tors. eta vs tors. theta energy: 1.470
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: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -105.627010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.627010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.627010 (E_RNA)
where:
Base-Base interactions energy: -68.027
where: short stacking energy: -26.479
Base-Backbone interact. energy: -0.989
local terms energy: -36.611483
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -6.950
flat angles P-C4'-P energy: -5.177
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: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -75.521914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.521914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.521914 (E_RNA)
where:
Base-Base interactions energy: -25.059
where: short stacking energy: -25.059
Base-Backbone interact. energy: -0.168
local terms energy: -50.294893
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -227.906619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.906619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.906619 (E_RNA)
where:
Base-Base interactions energy: -158.915
where: short stacking energy: -69.378
Base-Backbone interact. energy: -0.029
local terms energy: -68.962807
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -220.337813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.337813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.337813 (E_RNA)
where:
Base-Base interactions energy: -149.690
where: short stacking energy: -73.501
Base-Backbone interact. energy: -0.002
local terms energy: -70.645734
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -223.304876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.304876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.304876 (E_RNA)
where:
Base-Base interactions energy: -146.442
where: short stacking energy: -76.190
Base-Backbone interact. energy: -0.067
local terms energy: -76.796141
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -21.216
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: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -226.766845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.766845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.766845 (E_RNA)
where:
Base-Base interactions energy: -144.896
where: short stacking energy: -72.972
Base-Backbone interact. energy: -0.590
local terms energy: -81.280586
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -199.700788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.700788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.700788 (E_RNA)
where:
Base-Base interactions energy: -134.864
where: short stacking energy: -65.071
Base-Backbone interact. energy: 0.156
local terms energy: -64.992828
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -5.735
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -10.973
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: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -190.412557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.412557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.412557 (E_RNA)
where:
Base-Base interactions energy: -121.039
where: short stacking energy: -51.645
Base-Backbone interact. energy: -0.427
local terms energy: -68.946896
where:
bonds (distance) C4'-P energy: -8.709
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -14.314
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: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -178.582411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.582411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.582411 (E_RNA)
where:
Base-Base interactions energy: -108.180
where: short stacking energy: -48.423
Base-Backbone interact. energy: -0.190
local terms energy: -70.212462
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -104.365728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.365728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.365728 (E_RNA)
where:
Base-Base interactions energy: -44.197
where: short stacking energy: -44.197
Base-Backbone interact. energy: -0.039
local terms energy: -60.130221
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -7.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -96.025320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.025320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.025320 (E_RNA)
where:
Base-Base interactions energy: -44.054
where: short stacking energy: -32.132
Base-Backbone interact. energy: -0.028
local terms energy: -51.942414
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -95.686651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.686651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.686651 (E_RNA)
where:
Base-Base interactions energy: -50.704
where: short stacking energy: -28.626
Base-Backbone interact. energy: 0.031
local terms energy: -45.013091
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -2.755
tors. eta vs tors. theta energy: -2.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -231.195410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.195410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.195410 (E_RNA)
where:
Base-Base interactions energy: -152.304
where: short stacking energy: -78.362
Base-Backbone interact. energy: 1.715
local terms energy: -80.606531
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -218.685944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.685944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.685944 (E_RNA)
where:
Base-Base interactions energy: -141.499
where: short stacking energy: -70.068
Base-Backbone interact. energy: -0.017
local terms energy: -77.168995
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -18.812
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: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -224.652970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.652970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.652970 (E_RNA)
where:
Base-Base interactions energy: -152.179
where: short stacking energy: -73.634
Base-Backbone interact. energy: -0.314
local terms energy: -72.159502
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -213.666572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.666572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.666572 (E_RNA)
where:
Base-Base interactions energy: -146.767
where: short stacking energy: -63.887
Base-Backbone interact. energy: -0.100
local terms energy: -66.799593
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -184.446953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.446953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.446953 (E_RNA)
where:
Base-Base interactions energy: -126.440
where: short stacking energy: -62.444
Base-Backbone interact. energy: -0.004
local terms energy: -58.003197
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -6.105
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: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -188.209328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.209328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.209328 (E_RNA)
where:
Base-Base interactions energy: -118.379
where: short stacking energy: -64.124
Base-Backbone interact. energy: -0.050
local terms energy: -69.780274
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -184.509284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.509284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.509284 (E_RNA)
where:
Base-Base interactions energy: -116.746
where: short stacking energy: -57.258
Base-Backbone interact. energy: -0.871
local terms energy: -66.892181
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -88.029857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.029857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.029857 (E_RNA)
where:
Base-Base interactions energy: -32.416
where: short stacking energy: -32.416
Base-Backbone interact. energy: -0.206
local terms energy: -55.408067
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -96.368756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.368756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.368756 (E_RNA)
where:
Base-Base interactions energy: -41.055
where: short stacking energy: -40.293
Base-Backbone interact. energy: 0.879
local terms energy: -56.191926
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -13.883
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: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -89.151135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.151135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.151135 (E_RNA)
where:
Base-Base interactions energy: -37.673
where: short stacking energy: -26.697
Base-Backbone interact. energy: -0.206
local terms energy: -51.272190
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -9.819
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: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -230.170665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.170665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.170665 (E_RNA)
where:
Base-Base interactions energy: -151.396
where: short stacking energy: -83.578
Base-Backbone interact. energy: -0.011
local terms energy: -78.763511
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -12.192
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: 2, replica: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -230.174966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.174966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.174966 (E_RNA)
where:
Base-Base interactions energy: -151.528
where: short stacking energy: -73.269
Base-Backbone interact. energy: -0.084
local terms energy: -78.562988
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -11.667
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: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -225.392122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.392122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.392122 (E_RNA)
where:
Base-Base interactions energy: -152.473
where: short stacking energy: -71.546
Base-Backbone interact. energy: -0.098
local terms energy: -72.820575
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -195.146095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.146095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.146095 (E_RNA)
where:
Base-Base interactions energy: -128.200
where: short stacking energy: -69.165
Base-Backbone interact. energy: -0.102
local terms energy: -66.844335
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -194.103370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.103370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.103370 (E_RNA)
where:
Base-Base interactions energy: -127.717
where: short stacking energy: -55.671
Base-Backbone interact. energy: -0.340
local terms energy: -66.046883
where:
bonds (distance) C4'-P energy: -9.015
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -12.473
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: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -197.660210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.660210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.660210 (E_RNA)
where:
Base-Base interactions energy: -129.282
where: short stacking energy: -63.981
Base-Backbone interact. energy: -0.044
local terms energy: -68.333960
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -13.998
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: 133
Temperature: 1.200000
Total energy: -175.569651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.569651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.569651 (E_RNA)
where:
Base-Base interactions energy: -107.272
where: short stacking energy: -44.530
Base-Backbone interact. energy: -1.826
local terms energy: -66.471808
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -10.336
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: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -122.140779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.140779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.140779 (E_RNA)
where:
Base-Base interactions energy: -66.921
where: short stacking energy: -45.965
Base-Backbone interact. energy: -0.012
local terms energy: -55.208240
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -7.914
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: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -85.527689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.527689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.527689 (E_RNA)
where:
Base-Base interactions energy: -35.123
where: short stacking energy: -28.235
Base-Backbone interact. energy: 1.056
local terms energy: -51.460528
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -11.898
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: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -82.585471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.585471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.585471 (E_RNA)
where:
Base-Base interactions energy: -38.319
where: short stacking energy: -36.965
Base-Backbone interact. energy: -0.032
local terms energy: -44.233705
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -229.260612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.260612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.260612 (E_RNA)
where:
Base-Base interactions energy: -152.635
where: short stacking energy: -79.610
Base-Backbone interact. energy: -0.102
local terms energy: -76.524197
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -21.051
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: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -229.567726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.567726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.567726 (E_RNA)
where:
Base-Base interactions energy: -149.306
where: short stacking energy: -73.734
Base-Backbone interact. energy: -0.043
local terms energy: -80.219662
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -212.489374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.489374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.489374 (E_RNA)
where:
Base-Base interactions energy: -137.620
where: short stacking energy: -66.548
Base-Backbone interact. energy: -0.148
local terms energy: -74.721607
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -17.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -205.932372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.932372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.932372 (E_RNA)
where:
Base-Base interactions energy: -138.026
where: short stacking energy: -67.841
Base-Backbone interact. energy: -0.122
local terms energy: -67.784063
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -11.001
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: 5, replica: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -212.142803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.142803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.142803 (E_RNA)
where:
Base-Base interactions energy: -144.071
where: short stacking energy: -73.064
Base-Backbone interact. energy: -0.268
local terms energy: -67.803974
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -11.998
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: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -205.956708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.956708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.956708 (E_RNA)
where:
Base-Base interactions energy: -142.850
where: short stacking energy: -65.053
Base-Backbone interact. energy: -0.777
local terms energy: -62.329606
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -8.271
flat angles P-C4'-P energy: -9.443
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: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -167.498661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.498661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.498661 (E_RNA)
where:
Base-Base interactions energy: -102.657
where: short stacking energy: -50.507
Base-Backbone interact. energy: -0.296
local terms energy: -64.546010
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -11.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -103.508047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.508047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.508047 (E_RNA)
where:
Base-Base interactions energy: -41.363
where: short stacking energy: -41.363
Base-Backbone interact. energy: -0.145
local terms energy: -62.000418
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -110.528472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.528472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.528472 (E_RNA)
where:
Base-Base interactions energy: -54.370
where: short stacking energy: -54.370
Base-Backbone interact. energy: -0.001
local terms energy: -56.157824
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -12.259
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: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -81.337844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.337844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.337844 (E_RNA)
where:
Base-Base interactions energy: -34.377
where: short stacking energy: -25.459
Base-Backbone interact. energy: -0.404
local terms energy: -46.557183
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -233.342881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.342881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.342881 (E_RNA)
where:
Base-Base interactions energy: -158.130
where: short stacking energy: -80.027
Base-Backbone interact. energy: 0.529
local terms energy: -75.741110
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -210.033781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.033781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.033781 (E_RNA)
where:
Base-Base interactions energy: -138.797
where: short stacking energy: -69.261
Base-Backbone interact. energy: -0.019
local terms energy: -71.217736
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -7.977
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: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -226.827746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.827746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.827746 (E_RNA)
where:
Base-Base interactions energy: -159.878
where: short stacking energy: -75.327
Base-Backbone interact. energy: -0.213
local terms energy: -66.736744
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -6.136
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -200.781530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.781530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.781530 (E_RNA)
where:
Base-Base interactions energy: -131.052
where: short stacking energy: -62.374
Base-Backbone interact. energy: 1.001
local terms energy: -70.730704
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -9.189
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: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -221.266663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.266663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.266663 (E_RNA)
where:
Base-Base interactions energy: -146.546
where: short stacking energy: -71.948
Base-Backbone interact. energy: -0.151
local terms energy: -74.569946
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -206.669340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.669340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.669340 (E_RNA)
where:
Base-Base interactions energy: -139.297
where: short stacking energy: -70.893
Base-Backbone interact. energy: -0.544
local terms energy: -66.827872
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -172.608852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.608852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.608852 (E_RNA)
where:
Base-Base interactions energy: -114.578
where: short stacking energy: -57.154
Base-Backbone interact. energy: -0.113
local terms energy: -57.918044
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -8.884
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -10.660
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: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -96.878451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.878451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.878451 (E_RNA)
where:
Base-Base interactions energy: -51.785
where: short stacking energy: -37.753
Base-Backbone interact. energy: -0.377
local terms energy: -44.715788
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -7.568
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: 1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -92.073798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.073798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.073798 (E_RNA)
where:
Base-Base interactions energy: -41.711
where: short stacking energy: -41.711
Base-Backbone interact. energy: -0.179
local terms energy: -50.183777
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -5.784
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -90.983461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.983461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.983461 (E_RNA)
where:
Base-Base interactions energy: -37.280
where: short stacking energy: -36.941
Base-Backbone interact. energy: -0.135
local terms energy: -53.567668
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -6.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -224.875056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.875056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.875056 (E_RNA)
where:
Base-Base interactions energy: -148.205
where: short stacking energy: -77.439
Base-Backbone interact. energy: -0.098
local terms energy: -76.571884
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -224.472590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.472590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.472590 (E_RNA)
where:
Base-Base interactions energy: -145.691
where: short stacking energy: -72.590
Base-Backbone interact. energy: -0.086
local terms energy: -78.695435
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -228.633392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.633392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.633392 (E_RNA)
where:
Base-Base interactions energy: -153.765
where: short stacking energy: -79.223
Base-Backbone interact. energy: -0.000
local terms energy: -74.868162
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -20.276
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: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -206.444729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.444729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.444729 (E_RNA)
where:
Base-Base interactions energy: -137.178
where: short stacking energy: -70.763
Base-Backbone interact. energy: -0.923
local terms energy: -68.343398
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -15.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -200.771762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.771762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.771762 (E_RNA)
where:
Base-Base interactions energy: -131.617
where: short stacking energy: -62.355
Base-Backbone interact. energy: -0.078
local terms energy: -69.076769
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -8.877
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -206.444567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.444567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.444567 (E_RNA)
where:
Base-Base interactions energy: -137.985
where: short stacking energy: -68.538
Base-Backbone interact. energy: -0.004
local terms energy: -68.455444
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -182.227594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.227594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.227594 (E_RNA)
where:
Base-Base interactions energy: -113.415
where: short stacking energy: -50.077
Base-Backbone interact. energy: -0.005
local terms energy: -68.808013
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -111.872194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.872194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.872194 (E_RNA)
where:
Base-Base interactions energy: -54.333
where: short stacking energy: -48.850
Base-Backbone interact. energy: -0.134
local terms energy: -57.404973
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -91.752811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.752811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.752811 (E_RNA)
where:
Base-Base interactions energy: -44.280
where: short stacking energy: -39.205
Base-Backbone interact. energy: -0.050
local terms energy: -47.422656
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -1.259
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: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -81.499553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.499553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.499553 (E_RNA)
where:
Base-Base interactions energy: -21.361
where: short stacking energy: -21.361
Base-Backbone interact. energy: 1.225
local terms energy: -61.363433
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -3.623
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: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -227.337693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.337693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.337693 (E_RNA)
where:
Base-Base interactions energy: -145.996
where: short stacking energy: -77.143
Base-Backbone interact. energy: -0.002
local terms energy: -81.339643
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -21.712
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: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -227.018110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.018110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.018110 (E_RNA)
where:
Base-Base interactions energy: -148.217
where: short stacking energy: -74.451
Base-Backbone interact. energy: -0.380
local terms energy: -78.420767
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -16.862
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: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -223.800788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.800788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.800788 (E_RNA)
where:
Base-Base interactions energy: -145.420
where: short stacking energy: -78.474
Base-Backbone interact. energy: -0.033
local terms energy: -78.347841
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -8.369
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: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -205.281887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.281887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.281887 (E_RNA)
where:
Base-Base interactions energy: -133.087
where: short stacking energy: -62.109
Base-Backbone interact. energy: -0.029
local terms energy: -72.166062
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -208.128516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.128516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.128516 (E_RNA)
where:
Base-Base interactions energy: -131.251
where: short stacking energy: -65.259
Base-Backbone interact. energy: -1.406
local terms energy: -75.471216
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -188.102731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.102731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.102731 (E_RNA)
where:
Base-Base interactions energy: -130.904
where: short stacking energy: -64.072
Base-Backbone interact. energy: -1.642
local terms energy: -55.556562
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -175.296364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.296364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.296364 (E_RNA)
where:
Base-Base interactions energy: -113.367
where: short stacking energy: -55.728
Base-Backbone interact. energy: -0.066
local terms energy: -61.863156
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -93.623654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.623654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.623654 (E_RNA)
where:
Base-Base interactions energy: -41.500
where: short stacking energy: -37.856
Base-Backbone interact. energy: -0.159
local terms energy: -51.964687
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -8.385
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: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -88.138788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.138788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.138788 (E_RNA)
where:
Base-Base interactions energy: -47.334
where: short stacking energy: -29.212
Base-Backbone interact. energy: -0.260
local terms energy: -40.544278
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -10.472
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -85.387767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.387767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.387767 (E_RNA)
where:
Base-Base interactions energy: -35.283
where: short stacking energy: -30.378
Base-Backbone interact. energy: -0.094
local terms energy: -50.011332
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -236.280556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.280556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.280556 (E_RNA)
where:
Base-Base interactions energy: -159.703
where: short stacking energy: -79.089
Base-Backbone interact. energy: -0.001
local terms energy: -76.576407
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -19.668
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: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -229.020356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.020356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.020356 (E_RNA)
where:
Base-Base interactions energy: -153.966
where: short stacking energy: -79.011
Base-Backbone interact. energy: 0.489
local terms energy: -75.542797
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -221.487224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.487224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.487224 (E_RNA)
where:
Base-Base interactions energy: -144.660
where: short stacking energy: -69.508
Base-Backbone interact. energy: -0.134
local terms energy: -76.693061
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -10.942
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: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -194.338561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.338561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.338561 (E_RNA)
where:
Base-Base interactions energy: -135.451
where: short stacking energy: -62.243
Base-Backbone interact. energy: -0.062
local terms energy: -58.825479
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -14.179
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: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -196.585811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.585811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.585811 (E_RNA)
where:
Base-Base interactions energy: -133.882
where: short stacking energy: -67.927
Base-Backbone interact. energy: -0.072
local terms energy: -62.632191
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -199.363103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.363103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.363103 (E_RNA)
where:
Base-Base interactions energy: -130.038
where: short stacking energy: -61.942
Base-Backbone interact. energy: 0.771
local terms energy: -70.096680
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -11.762
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: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -102.644216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.644216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.644216 (E_RNA)
where:
Base-Base interactions energy: -47.914
where: short stacking energy: -41.561
Base-Backbone interact. energy: -0.024
local terms energy: -54.706391
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -170.183513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.183513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.183513 (E_RNA)
where:
Base-Base interactions energy: -107.132
where: short stacking energy: -51.725
Base-Backbone interact. energy: -0.221
local terms energy: -62.830278
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -11.083
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: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -94.809186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.809186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.809186 (E_RNA)
where:
Base-Base interactions energy: -47.846
where: short stacking energy: -33.303
Base-Backbone interact. energy: -0.133
local terms energy: -46.830412
where:
bonds (distance) C4'-P energy: -8.411
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -73.163163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.163163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.163163 (E_RNA)
where:
Base-Base interactions energy: -31.707
where: short stacking energy: -28.373
Base-Backbone interact. energy: -0.807
local terms energy: -40.648834
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: 6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -239.951161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.951161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.951161 (E_RNA)
where:
Base-Base interactions energy: -155.243
where: short stacking energy: -80.565
Base-Backbone interact. energy: -0.000
local terms energy: -84.707792
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -23.286
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: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -212.537823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.537823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.537823 (E_RNA)
where:
Base-Base interactions energy: -143.728
where: short stacking energy: -75.754
Base-Backbone interact. energy: -0.261
local terms energy: -68.549077
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -14.436
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: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -223.467007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.467007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.467007 (E_RNA)
where:
Base-Base interactions energy: -148.986
where: short stacking energy: -73.553
Base-Backbone interact. energy: -0.517
local terms energy: -73.963218
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -17.884
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: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -207.667008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.667008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.667008 (E_RNA)
where:
Base-Base interactions energy: -141.140
where: short stacking energy: -62.791
Base-Backbone interact. energy: -0.000
local terms energy: -66.526309
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -17.937
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: 5, replica: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -182.582493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.582493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.582493 (E_RNA)
where:
Base-Base interactions energy: -114.369
where: short stacking energy: -63.598
Base-Backbone interact. energy: -0.030
local terms energy: -68.183871
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -8.902
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: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -200.294993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.294993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.294993 (E_RNA)
where:
Base-Base interactions energy: -130.055
where: short stacking energy: -63.018
Base-Backbone interact. energy: -0.045
local terms energy: -70.195695
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -12.831
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: 7, replica: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -122.214573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.214573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.214573 (E_RNA)
where:
Base-Base interactions energy: -63.851
where: short stacking energy: -51.910
Base-Backbone interact. energy: 0.884
local terms energy: -59.248056
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -170.911755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.911755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.911755 (E_RNA)
where:
Base-Base interactions energy: -115.262
where: short stacking energy: -57.160
Base-Backbone interact. energy: 1.727
local terms energy: -57.376791
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -7.489
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -11.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -98.152195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.152195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.152195 (E_RNA)
where:
Base-Base interactions energy: -49.948
where: short stacking energy: -27.404
Base-Backbone interact. energy: 0.610
local terms energy: -48.813982
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -9.221
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -10.593
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: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -72.097349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.097349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.097349 (E_RNA)
where:
Base-Base interactions energy: -26.155
where: short stacking energy: -26.155
Base-Backbone interact. energy: -0.176
local terms energy: -45.767011
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -9.413
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -5.791
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: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -234.414775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.414775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.414775 (E_RNA)
where:
Base-Base interactions energy: -159.850
where: short stacking energy: -82.103
Base-Backbone interact. energy: -0.897
local terms energy: -73.667697
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -215.525567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.525567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.525567 (E_RNA)
where:
Base-Base interactions energy: -137.997
where: short stacking energy: -74.034
Base-Backbone interact. energy: -0.385
local terms energy: -77.143532
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -214.808086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.808086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.808086 (E_RNA)
where:
Base-Base interactions energy: -149.688
where: short stacking energy: -73.840
Base-Backbone interact. energy: 2.063
local terms energy: -67.183549
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -7.563
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -220.590431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.590431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.590431 (E_RNA)
where:
Base-Base interactions energy: -152.350
where: short stacking energy: -67.437
Base-Backbone interact. energy: -0.021
local terms energy: -68.219849
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -204.769141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.769141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.769141 (E_RNA)
where:
Base-Base interactions energy: -134.020
where: short stacking energy: -72.464
Base-Backbone interact. energy: -0.037
local terms energy: -70.712073
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -181.135350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.135350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.135350 (E_RNA)
where:
Base-Base interactions energy: -113.928
where: short stacking energy: -58.406
Base-Backbone interact. energy: -0.044
local terms energy: -67.163672
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -180.498002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.498002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.498002 (E_RNA)
where:
Base-Base interactions energy: -117.984
where: short stacking energy: -68.183
Base-Backbone interact. energy: -0.012
local terms energy: -62.501333
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -111.900229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.900229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.900229 (E_RNA)
where:
Base-Base interactions energy: -57.685
where: short stacking energy: -35.489
Base-Backbone interact. energy: -0.077
local terms energy: -54.138545
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -92.746412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.746412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.746412 (E_RNA)
where:
Base-Base interactions energy: -43.594
where: short stacking energy: -43.456
Base-Backbone interact. energy: -0.124
local terms energy: -49.028028
where:
bonds (distance) C4'-P energy: -8.028
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -4.335
tors. eta vs tors. theta energy: -3.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -85.512691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.512691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.512691 (E_RNA)
where:
Base-Base interactions energy: -39.008
where: short stacking energy: -39.008
Base-Backbone interact. energy: -0.100
local terms energy: -46.404148
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -237.619687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.619687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.619687 (E_RNA)
where:
Base-Base interactions energy: -156.960
where: short stacking energy: -82.909
Base-Backbone interact. energy: -0.003
local terms energy: -80.655897
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -23.725
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: 2, replica: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -223.081860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.081860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.081860 (E_RNA)
where:
Base-Base interactions energy: -144.159
where: short stacking energy: -72.754
Base-Backbone interact. energy: -0.652
local terms energy: -78.270724
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -210.896791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.896791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.896791 (E_RNA)
where:
Base-Base interactions energy: -145.398
where: short stacking energy: -60.193
Base-Backbone interact. energy: -0.110
local terms energy: -65.388410
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -16.397
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: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -211.022851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.022851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.022851 (E_RNA)
where:
Base-Base interactions energy: -143.562
where: short stacking energy: -76.675
Base-Backbone interact. energy: -0.629
local terms energy: -66.831122
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -19.324
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: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -197.419089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.419089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.419089 (E_RNA)
where:
Base-Base interactions energy: -130.715
where: short stacking energy: -65.453
Base-Backbone interact. energy: -0.024
local terms energy: -66.680446
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -8.191
flat angles P-C4'-P energy: -11.553
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: 6, replica: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -200.688150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.688150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.688150 (E_RNA)
where:
Base-Base interactions energy: -129.896
where: short stacking energy: -59.643
Base-Backbone interact. energy: -0.001
local terms energy: -70.791398
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -182.108229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.108229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.108229 (E_RNA)
where:
Base-Base interactions energy: -122.471
where: short stacking energy: -63.908
Base-Backbone interact. energy: -0.267
local terms energy: -59.370364
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: 1.701
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -95.305319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.305319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.305319 (E_RNA)
where:
Base-Base interactions energy: -35.990
where: short stacking energy: -35.990
Base-Backbone interact. energy: -0.110
local terms energy: -59.205422
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -85.525517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.525517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.525517 (E_RNA)
where:
Base-Base interactions energy: -31.368
where: short stacking energy: -31.368
Base-Backbone interact. energy: -0.060
local terms energy: -54.096849
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -7.171
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: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -85.097602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.097602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.097602 (E_RNA)
where:
Base-Base interactions energy: -29.666
where: short stacking energy: -29.156
Base-Backbone interact. energy: -0.022
local terms energy: -55.409360
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -237.730402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.730402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.730402 (E_RNA)
where:
Base-Base interactions energy: -160.026
where: short stacking energy: -83.947
Base-Backbone interact. energy: -0.013
local terms energy: -77.691361
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -22.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -209.969574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.969574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.969574 (E_RNA)
where:
Base-Base interactions energy: -136.551
where: short stacking energy: -66.375
Base-Backbone interact. energy: -0.358
local terms energy: -73.059970
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -11.446
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: 3, replica: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -208.139387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.139387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.139387 (E_RNA)
where:
Base-Base interactions energy: -144.112
where: short stacking energy: -68.663
Base-Backbone interact. energy: -0.158
local terms energy: -63.869484
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -16.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -212.142126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.142126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.142126 (E_RNA)
where:
Base-Base interactions energy: -136.603
where: short stacking energy: -65.690
Base-Backbone interact. energy: -0.797
local terms energy: -74.741975
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -203.080832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.080832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.080832 (E_RNA)
where:
Base-Base interactions energy: -128.231
where: short stacking energy: -61.563
Base-Backbone interact. energy: -0.094
local terms energy: -74.755372
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -18.009
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: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -203.587960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.587960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.587960 (E_RNA)
where:
Base-Base interactions energy: -137.375
where: short stacking energy: -60.567
Base-Backbone interact. energy: -0.123
local terms energy: -66.090362
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -190.080884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.080884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.080884 (E_RNA)
where:
Base-Base interactions energy: -116.417
where: short stacking energy: -55.576
Base-Backbone interact. energy: -0.035
local terms energy: -73.628950
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -16.727
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: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -128.980345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.980345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.980345 (E_RNA)
where:
Base-Base interactions energy: -67.474
where: short stacking energy: -39.325
Base-Backbone interact. energy: -0.068
local terms energy: -61.438147
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -90.104895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.104895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.104895 (E_RNA)
where:
Base-Base interactions energy: -39.854
where: short stacking energy: -39.854
Base-Backbone interact. energy: -0.010
local terms energy: -50.240964
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -83.404119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.404119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.404119 (E_RNA)
where:
Base-Base interactions energy: -37.209
where: short stacking energy: -37.209
Base-Backbone interact. energy: -0.003
local terms energy: -46.192110
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -4.160
tors. eta vs tors. theta energy: -8.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -232.154782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.154782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.154782 (E_RNA)
where:
Base-Base interactions energy: -156.460
where: short stacking energy: -76.090
Base-Backbone interact. energy: 0.925
local terms energy: -76.619732
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -219.826681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.826681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.826681 (E_RNA)
where:
Base-Base interactions energy: -149.053
where: short stacking energy: -78.421
Base-Backbone interact. energy: -0.011
local terms energy: -70.762476
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -213.576193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.576193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.576193 (E_RNA)
where:
Base-Base interactions energy: -140.687
where: short stacking energy: -65.232
Base-Backbone interact. energy: -0.003
local terms energy: -72.885607
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -15.727
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: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -225.656099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.656099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.656099 (E_RNA)
where:
Base-Base interactions energy: -156.638
where: short stacking energy: -77.024
Base-Backbone interact. energy: -0.004
local terms energy: -69.015029
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -2.591
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: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -200.749402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.749402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.749402 (E_RNA)
where:
Base-Base interactions energy: -134.633
where: short stacking energy: -57.141
Base-Backbone interact. energy: -0.209
local terms energy: -65.907619
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -16.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -188.921840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.921840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.921840 (E_RNA)
where:
Base-Base interactions energy: -129.533
where: short stacking energy: -67.209
Base-Backbone interact. energy: 0.415
local terms energy: -59.804137
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -182.981592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.981592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.981592 (E_RNA)
where:
Base-Base interactions energy: -123.506
where: short stacking energy: -62.236
Base-Backbone interact. energy: -0.336
local terms energy: -59.138816
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -188.321797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.321797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.321797 (E_RNA)
where:
Base-Base interactions energy: -116.255
where: short stacking energy: -61.167
Base-Backbone interact. energy: -0.005
local terms energy: -72.061610
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -87.641737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.641737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.641737 (E_RNA)
where:
Base-Base interactions energy: -30.999
where: short stacking energy: -30.999
Base-Backbone interact. energy: -1.571
local terms energy: -55.071792
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -9.026
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: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -81.554553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.554553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.554553 (E_RNA)
where:
Base-Base interactions energy: -40.892
where: short stacking energy: -30.848
Base-Backbone interact. energy: -1.135
local terms energy: -39.527407
where:
bonds (distance) C4'-P energy: -8.194
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -9.257
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: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -223.653364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.653364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.653364 (E_RNA)
where:
Base-Base interactions energy: -144.196
where: short stacking energy: -75.156
Base-Backbone interact. energy: -0.099
local terms energy: -79.358206
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -20.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -231.563262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.563262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.563262 (E_RNA)
where:
Base-Base interactions energy: -153.295
where: short stacking energy: -74.997
Base-Backbone interact. energy: -0.603
local terms energy: -77.665624
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -18.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -211.141777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.141777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.141777 (E_RNA)
where:
Base-Base interactions energy: -138.833
where: short stacking energy: -76.954
Base-Backbone interact. energy: -0.213
local terms energy: -72.095188
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -17.002
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: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -217.112829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.112829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.112829 (E_RNA)
where:
Base-Base interactions energy: -146.484
where: short stacking energy: -76.854
Base-Backbone interact. energy: -0.002
local terms energy: -70.626966
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -22.807
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: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -190.442062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.442062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.442062 (E_RNA)
where:
Base-Base interactions energy: -124.242
where: short stacking energy: -64.695
Base-Backbone interact. energy: -0.109
local terms energy: -66.091541
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -16.222
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: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -201.373504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.373504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.373504 (E_RNA)
where:
Base-Base interactions energy: -132.184
where: short stacking energy: -66.399
Base-Backbone interact. energy: -0.014
local terms energy: -69.175173
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -199.647241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.647241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.647241 (E_RNA)
where:
Base-Base interactions energy: -131.741
where: short stacking energy: -67.862
Base-Backbone interact. energy: -0.003
local terms energy: -67.902867
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -179.947501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.947501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.947501 (E_RNA)
where:
Base-Base interactions energy: -119.943
where: short stacking energy: -62.900
Base-Backbone interact. energy: -0.802
local terms energy: -59.202193
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -106.401408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.401408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.401408 (E_RNA)
where:
Base-Base interactions energy: -56.686
where: short stacking energy: -36.310
Base-Backbone interact. energy: -0.726
local terms energy: -48.989518
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -6.103
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: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -81.057198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.057198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.057198 (E_RNA)
where:
Base-Base interactions energy: -39.418
where: short stacking energy: -29.107
Base-Backbone interact. energy: -0.066
local terms energy: -41.572562
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -2.795
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: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -226.362852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.362852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.362852 (E_RNA)
where:
Base-Base interactions energy: -145.891
where: short stacking energy: -75.611
Base-Backbone interact. energy: -0.592
local terms energy: -79.880089
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -224.973240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.973240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.973240 (E_RNA)
where:
Base-Base interactions energy: -150.622
where: short stacking energy: -78.557
Base-Backbone interact. energy: 0.814
local terms energy: -75.164811
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -21.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -233.949075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.949075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.949075 (E_RNA)
where:
Base-Base interactions energy: -150.981
where: short stacking energy: -77.971
Base-Backbone interact. energy: -0.294
local terms energy: -82.673437
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -22.964
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: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -185.227931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.227931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.227931 (E_RNA)
where:
Base-Base interactions energy: -121.850
where: short stacking energy: -66.418
Base-Backbone interact. energy: -0.512
local terms energy: -62.865500
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -193.108968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.108968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.108968 (E_RNA)
where:
Base-Base interactions energy: -122.122
where: short stacking energy: -67.535
Base-Backbone interact. energy: 1.602
local terms energy: -72.588936
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -197.281971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.281971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.281971 (E_RNA)
where:
Base-Base interactions energy: -135.180
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.019
local terms energy: -62.083466
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -196.713441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.713441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.713441 (E_RNA)
where:
Base-Base interactions energy: -124.766
where: short stacking energy: -55.242
Base-Backbone interact. energy: -0.069
local terms energy: -71.878236
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -165.664690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.664690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.664690 (E_RNA)
where:
Base-Base interactions energy: -109.805
where: short stacking energy: -54.593
Base-Backbone interact. energy: -0.094
local terms energy: -55.766376
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -9.168
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: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -90.306849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.306849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.306849 (E_RNA)
where:
Base-Base interactions energy: -51.525
where: short stacking energy: -32.771
Base-Backbone interact. energy: -0.295
local terms energy: -38.486546
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: 6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -100.061763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.061763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.061763 (E_RNA)
where:
Base-Base interactions energy: -45.101
where: short stacking energy: -45.045
Base-Backbone interact. energy: -0.159
local terms energy: -54.801457
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -10.126
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: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -229.650042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.650042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.650042 (E_RNA)
where:
Base-Base interactions energy: -147.977
where: short stacking energy: -71.244
Base-Backbone interact. energy: -0.074
local terms energy: -81.599495
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -23.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -216.870334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.870334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.870334 (E_RNA)
where:
Base-Base interactions energy: -150.161
where: short stacking energy: -71.613
Base-Backbone interact. energy: 0.985
local terms energy: -67.694130
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -7.612
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: 3, replica: 4
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -226.654428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.654428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.654428 (E_RNA)
where:
Base-Base interactions energy: -145.166
where: short stacking energy: -72.054
Base-Backbone interact. energy: -0.003
local terms energy: -81.484657
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -20.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -190.354543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.354543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.354543 (E_RNA)
where:
Base-Base interactions energy: -121.899
where: short stacking energy: -65.727
Base-Backbone interact. energy: -0.119
local terms energy: -68.336446
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -210.610656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.610656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.610656 (E_RNA)
where:
Base-Base interactions energy: -140.745
where: short stacking energy: -69.272
Base-Backbone interact. energy: -0.009
local terms energy: -69.857385
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -179.144678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.144678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.144678 (E_RNA)
where:
Base-Base interactions energy: -117.365
where: short stacking energy: -46.455
Base-Backbone interact. energy: -0.398
local terms energy: -61.382126
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -191.383152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.383152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.383152 (E_RNA)
where:
Base-Base interactions energy: -120.398
where: short stacking energy: -62.803
Base-Backbone interact. energy: -0.055
local terms energy: -70.930737
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -173.612110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.612110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.612110 (E_RNA)
where:
Base-Base interactions energy: -118.585
where: short stacking energy: -58.355
Base-Backbone interact. energy: -0.153
local terms energy: -54.874539
where:
bonds (distance) C4'-P energy: -4.704
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -95.837104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.837104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.837104 (E_RNA)
where:
Base-Base interactions energy: -39.373
where: short stacking energy: -37.191
Base-Backbone interact. energy: -0.076
local terms energy: -56.388170
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -6.890
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: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -85.162829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.162829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.162829 (E_RNA)
where:
Base-Base interactions energy: -32.178
where: short stacking energy: -29.311
Base-Backbone interact. energy: -0.194
local terms energy: -52.790545
where:
bonds (distance) C4'-P energy: -7.636
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -7.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -231.913139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.913139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.913139 (E_RNA)
where:
Base-Base interactions energy: -154.121
where: short stacking energy: -78.805
Base-Backbone interact. energy: -0.208
local terms energy: -77.584726
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -21.492
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: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -231.087691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.087691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.087691 (E_RNA)
where:
Base-Base interactions energy: -153.055
where: short stacking energy: -74.450
Base-Backbone interact. energy: -0.004
local terms energy: -78.027904
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -20.128
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: 147
Temperature: 1.000000
Total energy: -214.380497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.380497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.380497 (E_RNA)
where:
Base-Base interactions energy: -141.794
where: short stacking energy: -67.688
Base-Backbone interact. energy: -0.020
local terms energy: -72.566046
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -203.441080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.441080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.441080 (E_RNA)
where:
Base-Base interactions energy: -134.756
where: short stacking energy: -67.231
Base-Backbone interact. energy: -0.003
local terms energy: -68.682326
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -184.353522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.353522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.353522 (E_RNA)
where:
Base-Base interactions energy: -125.005
where: short stacking energy: -65.847
Base-Backbone interact. energy: 1.351
local terms energy: -60.699278
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -6.104
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: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -197.711071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.711071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.711071 (E_RNA)
where:
Base-Base interactions energy: -123.344
where: short stacking energy: -68.263
Base-Backbone interact. energy: -0.057
local terms energy: -74.310364
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -10.982
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: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -172.218148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.218148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.218148 (E_RNA)
where:
Base-Base interactions energy: -106.735
where: short stacking energy: -56.833
Base-Backbone interact. energy: -0.692
local terms energy: -64.791154
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -196.658835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.658835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.658835 (E_RNA)
where:
Base-Base interactions energy: -129.896
where: short stacking energy: -69.551
Base-Backbone interact. energy: -0.048
local terms energy: -66.714662
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -16.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -95.061045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.061045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.061045 (E_RNA)
where:
Base-Base interactions energy: -46.486
where: short stacking energy: -46.486
Base-Backbone interact. energy: 2.091
local terms energy: -50.666395
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -7.949
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: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -86.186321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.186321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.186321 (E_RNA)
where:
Base-Base interactions energy: -33.826
where: short stacking energy: -27.296
Base-Backbone interact. energy: -0.054
local terms energy: -52.307022
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -0.536
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: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -232.908602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.908602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.908602 (E_RNA)
where:
Base-Base interactions energy: -152.270
where: short stacking energy: -78.300
Base-Backbone interact. energy: -0.406
local terms energy: -80.232913
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -20.827
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: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -227.326902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.326902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.326902 (E_RNA)
where:
Base-Base interactions energy: -153.041
where: short stacking energy: -74.193
Base-Backbone interact. energy: 1.603
local terms energy: -75.889374
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -217.156037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.156037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.156037 (E_RNA)
where:
Base-Base interactions energy: -143.208
where: short stacking energy: -71.821
Base-Backbone interact. energy: -0.020
local terms energy: -73.928849
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -16.660
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: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -187.337708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.337708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.337708 (E_RNA)
where:
Base-Base interactions energy: -130.353
where: short stacking energy: -69.700
Base-Backbone interact. energy: -0.005
local terms energy: -56.979523
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -185.043183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.043183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.043183 (E_RNA)
where:
Base-Base interactions energy: -123.797
where: short stacking energy: -66.436
Base-Backbone interact. energy: -0.541
local terms energy: -60.705303
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -15.147
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: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -164.824461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.824461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.824461 (E_RNA)
where:
Base-Base interactions energy: -105.158
where: short stacking energy: -49.259
Base-Backbone interact. energy: -1.357
local terms energy: -58.309756
where:
bonds (distance) C4'-P energy: -9.500
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -178.924687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.924687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.924687 (E_RNA)
where:
Base-Base interactions energy: -120.312
where: short stacking energy: -61.484
Base-Backbone interact. energy: -0.383
local terms energy: -58.229832
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -169.217773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.217773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.217773 (E_RNA)
where:
Base-Base interactions energy: -110.298
where: short stacking energy: -54.025
Base-Backbone interact. energy: -0.173
local terms energy: -58.746426
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -8.503
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -85.154441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.154441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.154441 (E_RNA)
where:
Base-Base interactions energy: -40.185
where: short stacking energy: -35.517
Base-Backbone interact. energy: -0.095
local terms energy: -44.875131
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -1.156
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: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -80.344749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.344749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.344749 (E_RNA)
where:
Base-Base interactions energy: -34.514
where: short stacking energy: -33.585
Base-Backbone interact. energy: -0.282
local terms energy: -45.549115
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -5.993
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: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -226.491320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.491320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.491320 (E_RNA)
where:
Base-Base interactions energy: -153.957
where: short stacking energy: -75.346
Base-Backbone interact. energy: -0.005
local terms energy: -72.529094
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -6.432
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: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -234.169735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.169735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.169735 (E_RNA)
where:
Base-Base interactions energy: -153.158
where: short stacking energy: -79.376
Base-Backbone interact. energy: -0.123
local terms energy: -80.888731
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -21.195
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: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -218.334909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.334909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.334909 (E_RNA)
where:
Base-Base interactions energy: -146.678
where: short stacking energy: -72.647
Base-Backbone interact. energy: -0.098
local terms energy: -71.559341
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -195.960352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.960352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.960352 (E_RNA)
where:
Base-Base interactions energy: -128.537
where: short stacking energy: -63.435
Base-Backbone interact. energy: -0.045
local terms energy: -67.377671
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -18.050
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: 5, replica: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -183.606035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.606035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.606035 (E_RNA)
where:
Base-Base interactions energy: -122.392
where: short stacking energy: -66.686
Base-Backbone interact. energy: 0.960
local terms energy: -62.173633
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -169.142302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.142302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.142302 (E_RNA)
where:
Base-Base interactions energy: -109.089
where: short stacking energy: -50.583
Base-Backbone interact. energy: -0.192
local terms energy: -59.861306
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -178.387048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.387048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.387048 (E_RNA)
where:
Base-Base interactions energy: -115.577
where: short stacking energy: -51.549
Base-Backbone interact. energy: -0.006
local terms energy: -62.803954
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -13.759
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: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -191.264906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.264906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.264906 (E_RNA)
where:
Base-Base interactions energy: -127.145
where: short stacking energy: -56.827
Base-Backbone interact. energy: -0.019
local terms energy: -64.101351
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -5.488
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: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -98.988992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.988992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.988992 (E_RNA)
where:
Base-Base interactions energy: -41.902
where: short stacking energy: -41.558
Base-Backbone interact. energy: -0.206
local terms energy: -56.881400
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -11.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -85.515754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.515754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.515754 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -36.229
Base-Backbone interact. energy: -0.060
local terms energy: -49.226295
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -6.618
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -241.237223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.237223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.237223 (E_RNA)
where:
Base-Base interactions energy: -161.825
where: short stacking energy: -82.943
Base-Backbone interact. energy: -0.002
local terms energy: -79.410261
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -217.240231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.240231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.240231 (E_RNA)
where:
Base-Base interactions energy: -141.593
where: short stacking energy: -70.525
Base-Backbone interact. energy: -0.002
local terms energy: -75.644991
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -205.984340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.984340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.984340 (E_RNA)
where:
Base-Base interactions energy: -138.653
where: short stacking energy: -64.491
Base-Backbone interact. energy: 0.021
local terms energy: -67.352481
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -10.769
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: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -216.714287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.714287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.714287 (E_RNA)
where:
Base-Base interactions energy: -139.973
where: short stacking energy: -69.371
Base-Backbone interact. energy: -0.748
local terms energy: -75.992351
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -180.508647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.508647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.508647 (E_RNA)
where:
Base-Base interactions energy: -118.738
where: short stacking energy: -54.785
Base-Backbone interact. energy: -0.034
local terms energy: -61.736721
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -8.654
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: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -191.719703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.719703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.719703 (E_RNA)
where:
Base-Base interactions energy: -137.458
where: short stacking energy: -62.737
Base-Backbone interact. energy: -0.018
local terms energy: -54.243940
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -4.771
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: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -197.793176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.793176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.793176 (E_RNA)
where:
Base-Base interactions energy: -132.776
where: short stacking energy: -68.223
Base-Backbone interact. energy: 1.173
local terms energy: -66.189645
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -148.552531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.552531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.552531 (E_RNA)
where:
Base-Base interactions energy: -95.757
where: short stacking energy: -51.037
Base-Backbone interact. energy: -0.148
local terms energy: -52.647825
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -93.631966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.631966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.631966 (E_RNA)
where:
Base-Base interactions energy: -53.400
where: short stacking energy: -34.221
Base-Backbone interact. energy: -0.213
local terms energy: -40.018426
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -7.452
flat angles C4'-P-C4' energy: -8.169
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -5.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -100.819043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.819043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.819043 (E_RNA)
where:
Base-Base interactions energy: -52.886
where: short stacking energy: -42.940
Base-Backbone interact. energy: -0.133
local terms energy: -47.799950
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -234.747346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.747346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.747346 (E_RNA)
where:
Base-Base interactions energy: -155.878
where: short stacking energy: -81.801
Base-Backbone interact. energy: -0.282
local terms energy: -78.586894
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -10.784
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: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -219.961335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.961335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.961335 (E_RNA)
where:
Base-Base interactions energy: -149.538
where: short stacking energy: -76.409
Base-Backbone interact. energy: -0.311
local terms energy: -70.111807
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -215.280903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.280903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.280903 (E_RNA)
where:
Base-Base interactions energy: -143.537
where: short stacking energy: -71.462
Base-Backbone interact. energy: -0.005
local terms energy: -71.739443
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -186.296505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.296505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.296505 (E_RNA)
where:
Base-Base interactions energy: -121.701
where: short stacking energy: -64.403
Base-Backbone interact. energy: -0.010
local terms energy: -64.585286
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -9.018
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: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -198.748837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.748837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.748837 (E_RNA)
where:
Base-Base interactions energy: -133.431
where: short stacking energy: -60.065
Base-Backbone interact. energy: -0.060
local terms energy: -65.257681
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -193.616869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.616869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.616869 (E_RNA)
where:
Base-Base interactions energy: -120.745
where: short stacking energy: -58.503
Base-Backbone interact. energy: -0.306
local terms energy: -72.565947
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -16.912
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: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -179.253393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.253393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.253393 (E_RNA)
where:
Base-Base interactions energy: -120.517
where: short stacking energy: -61.718
Base-Backbone interact. energy: -0.075
local terms energy: -58.661141
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -165.653838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.653838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.653838 (E_RNA)
where:
Base-Base interactions energy: -107.070
where: short stacking energy: -48.933
Base-Backbone interact. energy: -0.123
local terms energy: -58.460912
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -6.001
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -11.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -88.723502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.723502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.723502 (E_RNA)
where:
Base-Base interactions energy: -51.498
where: short stacking energy: -21.009
Base-Backbone interact. energy: 0.474
local terms energy: -37.699616
where:
bonds (distance) C4'-P energy: -6.982
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -85.538860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.538860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.538860 (E_RNA)
where:
Base-Base interactions energy: -36.311
where: short stacking energy: -36.311
Base-Backbone interact. energy: -0.186
local terms energy: -49.041676
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -236.264551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.264551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.264551 (E_RNA)
where:
Base-Base interactions energy: -159.399
where: short stacking energy: -73.997
Base-Backbone interact. energy: -0.284
local terms energy: -76.581545
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -202.310302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.310302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.310302 (E_RNA)
where:
Base-Base interactions energy: -130.400
where: short stacking energy: -70.598
Base-Backbone interact. energy: -0.532
local terms energy: -71.378370
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -201.748776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.748776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.748776 (E_RNA)
where:
Base-Base interactions energy: -130.516
where: short stacking energy: -69.710
Base-Backbone interact. energy: -0.666
local terms energy: -70.566564
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -10.961
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: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -194.511526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.511526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.511526 (E_RNA)
where:
Base-Base interactions energy: -125.320
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.023
local terms energy: -69.168188
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -187.906451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.906451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.906451 (E_RNA)
where:
Base-Base interactions energy: -124.855
where: short stacking energy: -64.171
Base-Backbone interact. energy: -0.075
local terms energy: -62.976634
where:
bonds (distance) C4'-P energy: -8.764
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -16.807
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: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -187.124393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.124393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.124393 (E_RNA)
where:
Base-Base interactions energy: -118.263
where: short stacking energy: -60.658
Base-Backbone interact. energy: -0.955
local terms energy: -67.905911
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -14.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -178.234188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.234188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.234188 (E_RNA)
where:
Base-Base interactions energy: -118.168
where: short stacking energy: -58.122
Base-Backbone interact. energy: -0.128
local terms energy: -59.938155
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -180.402605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.402605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.402605 (E_RNA)
where:
Base-Base interactions energy: -119.018
where: short stacking energy: -50.749
Base-Backbone interact. energy: 0.856
local terms energy: -62.240497
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -89.279393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.279393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.279393 (E_RNA)
where:
Base-Base interactions energy: -37.153
where: short stacking energy: -25.987
Base-Backbone interact. energy: -0.100
local terms energy: -52.026346
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -78.148560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.148560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.148560 (E_RNA)
where:
Base-Base interactions energy: -35.001
where: short stacking energy: -21.415
Base-Backbone interact. energy: -0.209
local terms energy: -42.938889
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -6.507
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: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -240.215477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.215477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.215477 (E_RNA)
where:
Base-Base interactions energy: -157.854
where: short stacking energy: -77.809
Base-Backbone interact. energy: -0.255
local terms energy: -82.106360
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -206.424920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.424920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.424920 (E_RNA)
where:
Base-Base interactions energy: -134.198
where: short stacking energy: -75.174
Base-Backbone interact. energy: 0.253
local terms energy: -72.479570
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -14.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -221.362954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.362954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.362954 (E_RNA)
where:
Base-Base interactions energy: -140.334
where: short stacking energy: -67.930
Base-Backbone interact. energy: -0.175
local terms energy: -80.853527
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -205.026539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.026539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.026539 (E_RNA)
where:
Base-Base interactions energy: -129.722
where: short stacking energy: -68.044
Base-Backbone interact. energy: -0.157
local terms energy: -75.147698
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -193.191046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.191046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.191046 (E_RNA)
where:
Base-Base interactions energy: -124.728
where: short stacking energy: -54.766
Base-Backbone interact. energy: -0.190
local terms energy: -68.273196
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -12.716
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: 153
Temperature: 1.150000
Total energy: -179.551044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.551044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.551044 (E_RNA)
where:
Base-Base interactions energy: -111.343
where: short stacking energy: -58.195
Base-Backbone interact. energy: -0.202
local terms energy: -68.006119
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -174.741065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.741065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.741065 (E_RNA)
where:
Base-Base interactions energy: -123.250
where: short stacking energy: -63.075
Base-Backbone interact. energy: 1.210
local terms energy: -52.700135
where:
bonds (distance) C4'-P energy: -7.964
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -101.767322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.767322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.767322 (E_RNA)
where:
Base-Base interactions energy: -50.860
where: short stacking energy: -49.092
Base-Backbone interact. energy: -0.190
local terms energy: -50.717531
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -6.836
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: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -165.013181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.013181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.013181 (E_RNA)
where:
Base-Base interactions energy: -101.630
where: short stacking energy: -47.671
Base-Backbone interact. energy: -0.467
local terms energy: -62.916134
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -91.197450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.197450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.197450 (E_RNA)
where:
Base-Base interactions energy: -39.336
where: short stacking energy: -32.813
Base-Backbone interact. energy: -0.709
local terms energy: -51.151791
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -233.733037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.733037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.733037 (E_RNA)
where:
Base-Base interactions energy: -160.757
where: short stacking energy: -76.036
Base-Backbone interact. energy: -0.004
local terms energy: -72.972115
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -19.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -205.902609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.902609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.902609 (E_RNA)
where:
Base-Base interactions energy: -130.727
where: short stacking energy: -74.086
Base-Backbone interact. energy: -0.712
local terms energy: -74.463928
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -218.655517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.655517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.655517 (E_RNA)
where:
Base-Base interactions energy: -144.570
where: short stacking energy: -70.586
Base-Backbone interact. energy: -0.243
local terms energy: -73.842330
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -13.339
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: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -223.892021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.892021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.892021 (E_RNA)
where:
Base-Base interactions energy: -147.327
where: short stacking energy: -74.922
Base-Backbone interact. energy: -0.046
local terms energy: -76.518642
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -20.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -189.914376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.914376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.914376 (E_RNA)
where:
Base-Base interactions energy: -126.910
where: short stacking energy: -59.358
Base-Backbone interact. energy: -0.398
local terms energy: -62.606732
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -13.052
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: 154
Temperature: 1.150000
Total energy: -207.635700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.635700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.635700 (E_RNA)
where:
Base-Base interactions energy: -130.301
where: short stacking energy: -69.318
Base-Backbone interact. energy: -0.014
local terms energy: -77.321293
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -174.184214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.184214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.184214 (E_RNA)
where:
Base-Base interactions energy: -111.973
where: short stacking energy: -53.553
Base-Backbone interact. energy: -0.101
local terms energy: -62.109526
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -11.881
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: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -98.803444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.803444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.803444 (E_RNA)
where:
Base-Base interactions energy: -46.618
where: short stacking energy: -40.774
Base-Backbone interact. energy: -0.049
local terms energy: -52.136598
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -7.778
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: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -174.855707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.855707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.855707 (E_RNA)
where:
Base-Base interactions energy: -113.668
where: short stacking energy: -56.512
Base-Backbone interact. energy: -0.001
local terms energy: -61.186774
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -96.374717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.374717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.374717 (E_RNA)
where:
Base-Base interactions energy: -40.720
where: short stacking energy: -37.234
Base-Backbone interact. energy: -0.663
local terms energy: -54.991511
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -237.108990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.108990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.108990 (E_RNA)
where:
Base-Base interactions energy: -157.857
where: short stacking energy: -75.740
Base-Backbone interact. energy: -0.180
local terms energy: -79.072161
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -213.171071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.171071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.171071 (E_RNA)
where:
Base-Base interactions energy: -136.670
where: short stacking energy: -64.799
Base-Backbone interact. energy: -0.006
local terms energy: -76.495327
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -10.915
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: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -227.460419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.460419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.460419 (E_RNA)
where:
Base-Base interactions energy: -153.594
where: short stacking energy: -78.116
Base-Backbone interact. energy: 1.021
local terms energy: -74.887307
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -20.597
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: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -205.186832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.186832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.186832 (E_RNA)
where:
Base-Base interactions energy: -132.762
where: short stacking energy: -70.764
Base-Backbone interact. energy: -0.352
local terms energy: -72.073326
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -187.799968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.799968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.799968 (E_RNA)
where:
Base-Base interactions energy: -119.409
where: short stacking energy: -56.805
Base-Backbone interact. energy: -0.130
local terms energy: -68.261016
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -15.533
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: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -169.862038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.862038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.862038 (E_RNA)
where:
Base-Base interactions energy: -110.989
where: short stacking energy: -57.115
Base-Backbone interact. energy: -0.032
local terms energy: -58.840749
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -7.812
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: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -180.890022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.890022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.890022 (E_RNA)
where:
Base-Base interactions energy: -111.654
where: short stacking energy: -59.111
Base-Backbone interact. energy: -0.517
local terms energy: -68.718696
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -171.863898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.863898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.863898 (E_RNA)
where:
Base-Base interactions energy: -106.551
where: short stacking energy: -49.876
Base-Backbone interact. energy: -0.122
local terms energy: -65.190661
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -12.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -84.112842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.112842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.112842 (E_RNA)
where:
Base-Base interactions energy: -36.007
where: short stacking energy: -29.359
Base-Backbone interact. energy: -0.140
local terms energy: -47.965494
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -5.453
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: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -80.020303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.020303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.020303 (E_RNA)
where:
Base-Base interactions energy: -44.235
where: short stacking energy: -31.556
Base-Backbone interact. energy: 0.009
local terms energy: -35.794195
where:
bonds (distance) C4'-P energy: -6.891
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -8.580
flat angles P-C4'-P energy: -0.711
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: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -242.576888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.576888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.576888 (E_RNA)
where:
Base-Base interactions energy: -163.585
where: short stacking energy: -82.526
Base-Backbone interact. energy: -0.156
local terms energy: -78.835201
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -227.788644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.788644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.788644 (E_RNA)
where:
Base-Base interactions energy: -151.012
where: short stacking energy: -81.591
Base-Backbone interact. energy: -0.252
local terms energy: -76.525269
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -223.168329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.168329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.168329 (E_RNA)
where:
Base-Base interactions energy: -141.575
where: short stacking energy: -74.820
Base-Backbone interact. energy: -0.575
local terms energy: -81.017972
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -212.618695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.618695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.618695 (E_RNA)
where:
Base-Base interactions energy: -139.997
where: short stacking energy: -69.229
Base-Backbone interact. energy: -0.063
local terms energy: -72.559079
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -20.627
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: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -214.123310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.123310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.123310 (E_RNA)
where:
Base-Base interactions energy: -134.059
where: short stacking energy: -73.146
Base-Backbone interact. energy: -0.030
local terms energy: -80.034079
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -14.080
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: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -181.757981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.757981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.757981 (E_RNA)
where:
Base-Base interactions energy: -124.516
where: short stacking energy: -65.764
Base-Backbone interact. energy: -0.538
local terms energy: -56.703643
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -174.561560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.561560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.561560 (E_RNA)
where:
Base-Base interactions energy: -114.387
where: short stacking energy: -48.434
Base-Backbone interact. energy: -0.096
local terms energy: -60.078473
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -172.304644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.304644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.304644 (E_RNA)
where:
Base-Base interactions energy: -113.536
where: short stacking energy: -52.586
Base-Backbone interact. energy: -0.042
local terms energy: -58.726329
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -97.543074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.543074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.543074 (E_RNA)
where:
Base-Base interactions energy: -49.029
where: short stacking energy: -38.868
Base-Backbone interact. energy: 1.826
local terms energy: -50.340942
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -11.401
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: 10, replica: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -90.706931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.706931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.706931 (E_RNA)
where:
Base-Base interactions energy: -34.965
where: short stacking energy: -23.365
Base-Backbone interact. energy: -0.717
local terms energy: -55.024657
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -244.881260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.881260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.881260 (E_RNA)
where:
Base-Base interactions energy: -161.932
where: short stacking energy: -87.457
Base-Backbone interact. energy: -0.170
local terms energy: -82.779470
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -20.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -231.946095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.946095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.946095 (E_RNA)
where:
Base-Base interactions energy: -153.883
where: short stacking energy: -82.913
Base-Backbone interact. energy: -0.282
local terms energy: -77.781142
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -226.381860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.381860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.381860 (E_RNA)
where:
Base-Base interactions energy: -154.187
where: short stacking energy: -78.190
Base-Backbone interact. energy: -0.020
local terms energy: -72.174577
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -7.908
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: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -214.761710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.761710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.761710 (E_RNA)
where:
Base-Base interactions energy: -143.121
where: short stacking energy: -75.825
Base-Backbone interact. energy: -0.112
local terms energy: -71.529144
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -19.806
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: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -216.075829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.075829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.075829 (E_RNA)
where:
Base-Base interactions energy: -140.418
where: short stacking energy: -74.976
Base-Backbone interact. energy: -0.252
local terms energy: -75.405389
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -22.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -175.467421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.467421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.467421 (E_RNA)
where:
Base-Base interactions energy: -107.973
where: short stacking energy: -53.278
Base-Backbone interact. energy: -0.235
local terms energy: -67.259276
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -14.051
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: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -178.052106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.052106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.052106 (E_RNA)
where:
Base-Base interactions energy: -119.963
where: short stacking energy: -65.600
Base-Backbone interact. energy: -0.066
local terms energy: -58.023295
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -13.033
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: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -90.037264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.037264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.037264 (E_RNA)
where:
Base-Base interactions energy: -36.507
where: short stacking energy: -36.507
Base-Backbone interact. energy: -0.015
local terms energy: -53.515249
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -8.383
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: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -167.676985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.676985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.676985 (E_RNA)
where:
Base-Base interactions energy: -106.814
where: short stacking energy: -51.185
Base-Backbone interact. energy: -0.230
local terms energy: -60.633436
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -12.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -91.822934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.822934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.822934 (E_RNA)
where:
Base-Base interactions energy: -51.274
where: short stacking energy: -21.868
Base-Backbone interact. energy: -0.151
local terms energy: -40.398679
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: 3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -229.482913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.482913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.482913 (E_RNA)
where:
Base-Base interactions energy: -148.317
where: short stacking energy: -78.751
Base-Backbone interact. energy: -0.009
local terms energy: -81.157572
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -22.242
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: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -233.409139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.409139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.409139 (E_RNA)
where:
Base-Base interactions energy: -156.574
where: short stacking energy: -81.098
Base-Backbone interact. energy: -0.001
local terms energy: -76.834055
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -228.918821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.918821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.918821 (E_RNA)
where:
Base-Base interactions energy: -150.704
where: short stacking energy: -78.473
Base-Backbone interact. energy: -0.346
local terms energy: -77.868404
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -22.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -218.019324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.019324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.019324 (E_RNA)
where:
Base-Base interactions energy: -145.162
where: short stacking energy: -70.581
Base-Backbone interact. energy: -0.030
local terms energy: -72.827585
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -18.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -200.932790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.932790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.932790 (E_RNA)
where:
Base-Base interactions energy: -133.834
where: short stacking energy: -65.051
Base-Backbone interact. energy: -0.203
local terms energy: -66.895813
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -184.873932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.873932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.873932 (E_RNA)
where:
Base-Base interactions energy: -116.996
where: short stacking energy: -57.047
Base-Backbone interact. energy: -0.573
local terms energy: -67.304853
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -13.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -173.349589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.349589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.349589 (E_RNA)
where:
Base-Base interactions energy: -104.053
where: short stacking energy: -48.812
Base-Backbone interact. energy: -0.425
local terms energy: -68.871613
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -90.301452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.301452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.301452 (E_RNA)
where:
Base-Base interactions energy: -33.213
where: short stacking energy: -33.213
Base-Backbone interact. energy: -0.107
local terms energy: -56.981407
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -178.085349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.085349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.085349 (E_RNA)
where:
Base-Base interactions energy: -115.866
where: short stacking energy: -56.124
Base-Backbone interact. energy: 0.266
local terms energy: -62.484882
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -10.775
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: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -92.131895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.131895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.131895 (E_RNA)
where:
Base-Base interactions energy: -38.195
where: short stacking energy: -38.195
Base-Backbone interact. energy: -0.247
local terms energy: -53.690061
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -231.796951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.796951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.796951 (E_RNA)
where:
Base-Base interactions energy: -151.184
where: short stacking energy: -80.633
Base-Backbone interact. energy: -0.034
local terms energy: -80.579307
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -21.961
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: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -230.409764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.409764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.409764 (E_RNA)
where:
Base-Base interactions energy: -153.062
where: short stacking energy: -79.954
Base-Backbone interact. energy: -0.151
local terms energy: -77.196121
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -19.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -228.305888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.305888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.305888 (E_RNA)
where:
Base-Base interactions energy: -149.228
where: short stacking energy: -76.755
Base-Backbone interact. energy: -0.560
local terms energy: -78.518015
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -22.052
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: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -205.298879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.298879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.298879 (E_RNA)
where:
Base-Base interactions energy: -141.236
where: short stacking energy: -69.481
Base-Backbone interact. energy: -0.073
local terms energy: -63.990083
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -205.115553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.115553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.115553 (E_RNA)
where:
Base-Base interactions energy: -140.737
where: short stacking energy: -69.631
Base-Backbone interact. energy: -0.056
local terms energy: -64.322790
where:
bonds (distance) C4'-P energy: -6.493
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -188.239898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.239898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.239898 (E_RNA)
where:
Base-Base interactions energy: -126.602
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.205
local terms energy: -61.433688
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -7.864
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: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -174.835732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.835732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.835732 (E_RNA)
where:
Base-Base interactions energy: -110.078
where: short stacking energy: -53.912
Base-Backbone interact. energy: -0.188
local terms energy: -64.569094
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -167.275158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.275158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.275158 (E_RNA)
where:
Base-Base interactions energy: -110.392
where: short stacking energy: -64.119
Base-Backbone interact. energy: -0.010
local terms energy: -56.873112
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -86.104016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.104016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.104016 (E_RNA)
where:
Base-Base interactions energy: -33.021
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.213
local terms energy: -52.870080
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -89.051331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.051331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.051331 (E_RNA)
where:
Base-Base interactions energy: -47.211
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.374
local terms energy: -41.466296
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -8.300
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -5.274
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: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -228.976365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.976365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.976365 (E_RNA)
where:
Base-Base interactions energy: -149.000
where: short stacking energy: -81.965
Base-Backbone interact. energy: -0.004
local terms energy: -79.972655
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -21.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -220.937197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.937197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.937197 (E_RNA)
where:
Base-Base interactions energy: -143.988
where: short stacking energy: -71.636
Base-Backbone interact. energy: -0.234
local terms energy: -76.715952
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -215.765445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.765445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.765445 (E_RNA)
where:
Base-Base interactions energy: -142.524
where: short stacking energy: -68.053
Base-Backbone interact. energy: -0.064
local terms energy: -73.176708
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -223.161942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.161942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.161942 (E_RNA)
where:
Base-Base interactions energy: -146.635
where: short stacking energy: -70.971
Base-Backbone interact. energy: 0.210
local terms energy: -76.737485
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -211.678805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.678805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.678805 (E_RNA)
where:
Base-Base interactions energy: -150.822
where: short stacking energy: -78.820
Base-Backbone interact. energy: 1.749
local terms energy: -62.605886
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -207.201855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.201855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.201855 (E_RNA)
where:
Base-Base interactions energy: -140.254
where: short stacking energy: -75.879
Base-Backbone interact. energy: -0.015
local terms energy: -66.932837
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -20.510
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: 160
Temperature: 1.200000
Total energy: -197.516375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.516375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.516375 (E_RNA)
where:
Base-Base interactions energy: -129.509
where: short stacking energy: -61.426
Base-Backbone interact. energy: -0.002
local terms energy: -68.005116
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -165.497797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.497797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.497797 (E_RNA)
where:
Base-Base interactions energy: -113.040
where: short stacking energy: -53.268
Base-Backbone interact. energy: -0.011
local terms energy: -52.446226
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -8.035
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -104.839152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.839152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.839152 (E_RNA)
where:
Base-Base interactions energy: -51.080
where: short stacking energy: -45.209
Base-Backbone interact. energy: -0.181
local terms energy: -53.578185
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -10.832
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -8.098
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: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -83.941664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.941664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.941664 (E_RNA)
where:
Base-Base interactions energy: -24.897
where: short stacking energy: -24.897
Base-Backbone interact. energy: -0.246
local terms energy: -58.798434
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -227.429622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.429622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.429622 (E_RNA)
where:
Base-Base interactions energy: -149.498
where: short stacking energy: -73.517
Base-Backbone interact. energy: -0.379
local terms energy: -77.552592
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -10.947
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: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -230.158597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.158597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.158597 (E_RNA)
where:
Base-Base interactions energy: -150.234
where: short stacking energy: -77.704
Base-Backbone interact. energy: -0.032
local terms energy: -79.892490
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -224.780367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.780367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.780367 (E_RNA)
where:
Base-Base interactions energy: -149.717
where: short stacking energy: -76.377
Base-Backbone interact. energy: -0.031
local terms energy: -75.032942
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -224.006412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.006412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.006412 (E_RNA)
where:
Base-Base interactions energy: -150.553
where: short stacking energy: -76.136
Base-Backbone interact. energy: -0.005
local terms energy: -73.448958
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -12.069
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: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -215.667819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.667819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.667819 (E_RNA)
where:
Base-Base interactions energy: -140.719
where: short stacking energy: -61.708
Base-Backbone interact. energy: -0.039
local terms energy: -74.909868
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -20.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -203.259065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.259065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.259065 (E_RNA)
where:
Base-Base interactions energy: -131.810
where: short stacking energy: -65.857
Base-Backbone interact. energy: -1.290
local terms energy: -70.159160
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -16.882
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: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -178.793979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.793979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.793979 (E_RNA)
where:
Base-Base interactions energy: -116.031
where: short stacking energy: -63.659
Base-Backbone interact. energy: -0.001
local terms energy: -62.761119
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -14.021
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: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -117.876022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.876022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.876022 (E_RNA)
where:
Base-Base interactions energy: -67.238
where: short stacking energy: -33.588
Base-Backbone interact. energy: -0.879
local terms energy: -49.759042
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -162.416062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.416062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.416062 (E_RNA)
where:
Base-Base interactions energy: -107.961
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.015
local terms energy: -54.440328
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -4.609
tors. eta vs tors. theta energy: -10.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -86.381239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.381239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.381239 (E_RNA)
where:
Base-Base interactions energy: -34.178
where: short stacking energy: -34.178
Base-Backbone interact. energy: -0.015
local terms energy: -52.187988
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -7.017
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: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -240.590725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.590725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.590725 (E_RNA)
where:
Base-Base interactions energy: -157.753
where: short stacking energy: -77.096
Base-Backbone interact. energy: -0.005
local terms energy: -82.833042
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -10.987
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: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -222.761404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.761404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.761404 (E_RNA)
where:
Base-Base interactions energy: -145.922
where: short stacking energy: -75.374
Base-Backbone interact. energy: -0.006
local terms energy: -76.833480
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -206.188045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.188045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.188045 (E_RNA)
where:
Base-Base interactions energy: -131.621
where: short stacking energy: -64.368
Base-Backbone interact. energy: 0.681
local terms energy: -75.247720
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -14.130
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: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -214.690786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.690786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.690786 (E_RNA)
where:
Base-Base interactions energy: -144.054
where: short stacking energy: -70.996
Base-Backbone interact. energy: 0.185
local terms energy: -70.822230
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -191.889212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.889212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.889212 (E_RNA)
where:
Base-Base interactions energy: -126.409
where: short stacking energy: -56.878
Base-Backbone interact. energy: -0.275
local terms energy: -65.205169
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -10.968
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: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -201.761723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.761723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.761723 (E_RNA)
where:
Base-Base interactions energy: -127.387
where: short stacking energy: -59.608
Base-Backbone interact. energy: -0.023
local terms energy: -74.352029
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -182.518945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.518945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.518945 (E_RNA)
where:
Base-Base interactions energy: -124.069
where: short stacking energy: -55.204
Base-Backbone interact. energy: -0.814
local terms energy: -57.635416
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -1.779
tors. eta vs tors. theta energy: -18.070
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: 162
Temperature: 1.250000
Total energy: -129.213694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.213694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.213694 (E_RNA)
where:
Base-Base interactions energy: -74.164
where: short stacking energy: -41.124
Base-Backbone interact. energy: -0.017
local terms energy: -55.033564
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -172.151105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.151105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.151105 (E_RNA)
where:
Base-Base interactions energy: -110.920
where: short stacking energy: -50.634
Base-Backbone interact. energy: -0.144
local terms energy: -61.087421
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -10.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -87.143085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143085 (E_RNA)
where:
Base-Base interactions energy: -33.775
where: short stacking energy: -33.775
Base-Backbone interact. energy: 1.159
local terms energy: -54.527385
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -231.251543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.251543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.251543 (E_RNA)
where:
Base-Base interactions energy: -152.344
where: short stacking energy: -80.753
Base-Backbone interact. energy: -0.002
local terms energy: -78.904969
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -11.838
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: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -226.901114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.901114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.901114 (E_RNA)
where:
Base-Base interactions energy: -151.650
where: short stacking energy: -80.154
Base-Backbone interact. energy: -0.076
local terms energy: -75.175441
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -10.880
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: 3, replica: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -216.698112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.698112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.698112 (E_RNA)
where:
Base-Base interactions energy: -146.777
where: short stacking energy: -62.605
Base-Backbone interact. energy: -1.104
local terms energy: -68.817405
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -203.652945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.652945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.652945 (E_RNA)
where:
Base-Base interactions energy: -136.533
where: short stacking energy: -66.136
Base-Backbone interact. energy: -0.191
local terms energy: -66.929220
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -6.491
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: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -200.595320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.595320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.595320 (E_RNA)
where:
Base-Base interactions energy: -127.237
where: short stacking energy: -65.010
Base-Backbone interact. energy: -0.261
local terms energy: -73.097717
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -13.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -199.364677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.364677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.364677 (E_RNA)
where:
Base-Base interactions energy: -131.103
where: short stacking energy: -63.881
Base-Backbone interact. energy: -1.503
local terms energy: -66.758251
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -16.414
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: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -178.093635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.093635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.093635 (E_RNA)
where:
Base-Base interactions energy: -121.819
where: short stacking energy: -66.726
Base-Backbone interact. energy: -0.015
local terms energy: -56.259981
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -8.266
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -16.601
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: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -184.864221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.864221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.864221 (E_RNA)
where:
Base-Base interactions energy: -119.808
where: short stacking energy: -54.376
Base-Backbone interact. energy: -0.427
local terms energy: -64.629885
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -5.130
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: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -106.398210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.398210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.398210 (E_RNA)
where:
Base-Base interactions energy: -47.814
where: short stacking energy: -44.036
Base-Backbone interact. energy: -0.256
local terms energy: -58.328872
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -7.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -96.330577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.330577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.330577 (E_RNA)
where:
Base-Base interactions energy: -42.719
where: short stacking energy: -42.719
Base-Backbone interact. energy: 0.185
local terms energy: -53.797492
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -229.261581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.261581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.261581 (E_RNA)
where:
Base-Base interactions energy: -145.794
where: short stacking energy: -79.669
Base-Backbone interact. energy: -1.057
local terms energy: -82.410781
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -23.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -224.849187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.849187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.849187 (E_RNA)
where:
Base-Base interactions energy: -144.836
where: short stacking energy: -76.229
Base-Backbone interact. energy: -0.063
local terms energy: -79.950546
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -10.290
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: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -229.190425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.190425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.190425 (E_RNA)
where:
Base-Base interactions energy: -148.311
where: short stacking energy: -73.433
Base-Backbone interact. energy: -0.098
local terms energy: -80.781924
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -213.318799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.318799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.318799 (E_RNA)
where:
Base-Base interactions energy: -145.271
where: short stacking energy: -69.181
Base-Backbone interact. energy: -1.718
local terms energy: -66.329732
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -19.782
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: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -205.051094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.051094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.051094 (E_RNA)
where:
Base-Base interactions energy: -134.410
where: short stacking energy: -59.602
Base-Backbone interact. energy: -0.068
local terms energy: -70.573222
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -176.799236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.799236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.799236 (E_RNA)
where:
Base-Base interactions energy: -109.972
where: short stacking energy: -55.449
Base-Backbone interact. energy: 0.286
local terms energy: -67.113318
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -10.846
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: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -190.855132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.855132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.855132 (E_RNA)
where:
Base-Base interactions energy: -131.304
where: short stacking energy: -68.245
Base-Backbone interact. energy: -0.006
local terms energy: -59.545309
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -169.069955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.069955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.069955 (E_RNA)
where:
Base-Base interactions energy: -108.151
where: short stacking energy: -59.279
Base-Backbone interact. energy: -0.083
local terms energy: -60.835404
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -13.247
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: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -127.930078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.930078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.930078 (E_RNA)
where:
Base-Base interactions energy: -68.880
where: short stacking energy: -42.906
Base-Backbone interact. energy: -0.010
local terms energy: -59.040222
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -7.794
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: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -94.582484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.582484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.582484 (E_RNA)
where:
Base-Base interactions energy: -44.590
where: short stacking energy: -32.360
Base-Backbone interact. energy: -0.140
local terms energy: -49.852668
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -229.971604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.971604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.971604 (E_RNA)
where:
Base-Base interactions energy: -150.350
where: short stacking energy: -80.941
Base-Backbone interact. energy: -0.015
local terms energy: -79.606224
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -228.628666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.628666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.628666 (E_RNA)
where:
Base-Base interactions energy: -148.330
where: short stacking energy: -73.555
Base-Backbone interact. energy: -0.349
local terms energy: -79.949652
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -20.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -217.511323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.511323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.511323 (E_RNA)
where:
Base-Base interactions energy: -143.999
where: short stacking energy: -70.594
Base-Backbone interact. energy: -0.165
local terms energy: -73.348051
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -215.856648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.856648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.856648 (E_RNA)
where:
Base-Base interactions energy: -140.054
where: short stacking energy: -69.114
Base-Backbone interact. energy: -0.105
local terms energy: -75.697414
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -183.828038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.828038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.828038 (E_RNA)
where:
Base-Base interactions energy: -118.014
where: short stacking energy: -65.098
Base-Backbone interact. energy: -0.032
local terms energy: -65.781590
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -183.730859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.730859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.730859 (E_RNA)
where:
Base-Base interactions energy: -119.763
where: short stacking energy: -58.344
Base-Backbone interact. energy: -0.198
local terms energy: -63.769899
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -13.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -171.733610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.733610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.733610 (E_RNA)
where:
Base-Base interactions energy: -105.399
where: short stacking energy: -49.412
Base-Backbone interact. energy: -0.104
local terms energy: -66.230556
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -171.374134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.374134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.374134 (E_RNA)
where:
Base-Base interactions energy: -112.978
where: short stacking energy: -57.950
Base-Backbone interact. energy: -0.099
local terms energy: -58.298118
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -10.678
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: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -103.652938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.652938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.652938 (E_RNA)
where:
Base-Base interactions energy: -53.102
where: short stacking energy: -26.190
Base-Backbone interact. energy: -0.060
local terms energy: -50.490289
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -85.407988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.407988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.407988 (E_RNA)
where:
Base-Base interactions energy: -42.370
where: short stacking energy: -36.235
Base-Backbone interact. energy: -0.222
local terms energy: -42.815845
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -8.648
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -5.657
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: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -224.403639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.403639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.403639 (E_RNA)
where:
Base-Base interactions energy: -149.161
where: short stacking energy: -65.367
Base-Backbone interact. energy: -0.128
local terms energy: -75.115186
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -228.871834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.871834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.871834 (E_RNA)
where:
Base-Base interactions energy: -148.528
where: short stacking energy: -77.074
Base-Backbone interact. energy: 0.615
local terms energy: -80.959311
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -212.781786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.781786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.781786 (E_RNA)
where:
Base-Base interactions energy: -135.666
where: short stacking energy: -64.076
Base-Backbone interact. energy: -0.841
local terms energy: -76.274847
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -203.747788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.747788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.747788 (E_RNA)
where:
Base-Base interactions energy: -132.821
where: short stacking energy: -64.828
Base-Backbone interact. energy: -0.418
local terms energy: -70.508778
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -8.641
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: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -205.047039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.047039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.047039 (E_RNA)
where:
Base-Base interactions energy: -132.543
where: short stacking energy: -58.089
Base-Backbone interact. energy: -0.651
local terms energy: -71.853029
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -172.920497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.920497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.920497 (E_RNA)
where:
Base-Base interactions energy: -112.872
where: short stacking energy: -54.387
Base-Backbone interact. energy: -0.368
local terms energy: -59.681214
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -176.565476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.565476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.565476 (E_RNA)
where:
Base-Base interactions energy: -104.876
where: short stacking energy: -50.467
Base-Backbone interact. energy: -0.027
local terms energy: -71.663100
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -15.998
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: 8, replica: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -184.293065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.293065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.293065 (E_RNA)
where:
Base-Base interactions energy: -119.936
where: short stacking energy: -64.378
Base-Backbone interact. energy: -0.397
local terms energy: -63.960057
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -16.521
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: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -100.293105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.293105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.293105 (E_RNA)
where:
Base-Base interactions energy: -47.688
where: short stacking energy: -31.569
Base-Backbone interact. energy: 0.327
local terms energy: -52.932639
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -7.906
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: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -94.290497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.290497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.290497 (E_RNA)
where:
Base-Base interactions energy: -41.901
where: short stacking energy: -41.901
Base-Backbone interact. energy: -0.027
local terms energy: -52.361879
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -228.309502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.309502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.309502 (E_RNA)
where:
Base-Base interactions energy: -154.050
where: short stacking energy: -79.434
Base-Backbone interact. energy: -0.048
local terms energy: -74.210979
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -22.556
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: 167
Temperature: 0.950000
Total energy: -229.734645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.734645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.734645 (E_RNA)
where:
Base-Base interactions energy: -150.398
where: short stacking energy: -77.420
Base-Backbone interact. energy: -0.051
local terms energy: -79.285496
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -23.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -219.370192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.370192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.370192 (E_RNA)
where:
Base-Base interactions energy: -148.154
where: short stacking energy: -74.717
Base-Backbone interact. energy: -0.006
local terms energy: -71.210193
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -19.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -204.701486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.701486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.701486 (E_RNA)
where:
Base-Base interactions energy: -136.407
where: short stacking energy: -66.759
Base-Backbone interact. energy: -1.157
local terms energy: -67.137603
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -9.564
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: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -205.101428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.101428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.101428 (E_RNA)
where:
Base-Base interactions energy: -137.248
where: short stacking energy: -57.550
Base-Backbone interact. energy: -0.085
local terms energy: -67.768886
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -16.156
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: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -173.537624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.537624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.537624 (E_RNA)
where:
Base-Base interactions energy: -108.021
where: short stacking energy: -56.904
Base-Backbone interact. energy: -0.123
local terms energy: -65.393093
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -173.834484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.834484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.834484 (E_RNA)
where:
Base-Base interactions energy: -108.864
where: short stacking energy: -58.956
Base-Backbone interact. energy: 0.010
local terms energy: -64.980387
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -10.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -160.544719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.544719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.544719 (E_RNA)
where:
Base-Base interactions energy: -103.155
where: short stacking energy: -50.867
Base-Backbone interact. energy: -0.008
local terms energy: -57.381851
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -11.024
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: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -101.495253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.495253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.495253 (E_RNA)
where:
Base-Base interactions energy: -47.663
where: short stacking energy: -40.940
Base-Backbone interact. energy: -0.043
local terms energy: -53.789926
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -2.605
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: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -77.622793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.622793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.622793 (E_RNA)
where:
Base-Base interactions energy: -30.660
where: short stacking energy: -22.562
Base-Backbone interact. energy: -0.808
local terms energy: -46.155237
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -237.240632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.240632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.240632 (E_RNA)
where:
Base-Base interactions energy: -155.894
where: short stacking energy: -77.661
Base-Backbone interact. energy: -0.033
local terms energy: -81.313439
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -13.221
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: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -220.165957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.165957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.165957 (E_RNA)
where:
Base-Base interactions energy: -147.800
where: short stacking energy: -70.745
Base-Backbone interact. energy: -0.053
local terms energy: -72.313181
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -194.506669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.506669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.506669 (E_RNA)
where:
Base-Base interactions energy: -126.737
where: short stacking energy: -61.409
Base-Backbone interact. energy: -0.194
local terms energy: -67.575378
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -15.252
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: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -209.221958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.221958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.221958 (E_RNA)
where:
Base-Base interactions energy: -144.528
where: short stacking energy: -69.595
Base-Backbone interact. energy: -0.034
local terms energy: -64.660120
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -192.754066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.754066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.754066 (E_RNA)
where:
Base-Base interactions energy: -127.626
where: short stacking energy: -66.763
Base-Backbone interact. energy: -0.265
local terms energy: -64.862970
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -193.382712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.382712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.382712 (E_RNA)
where:
Base-Base interactions energy: -125.325
where: short stacking energy: -60.352
Base-Backbone interact. energy: -0.413
local terms energy: -67.644517
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -170.696161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.696161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.696161 (E_RNA)
where:
Base-Base interactions energy: -108.440
where: short stacking energy: -55.492
Base-Backbone interact. energy: -0.681
local terms energy: -61.575396
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -12.427
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: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -165.441685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.441685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.441685 (E_RNA)
where:
Base-Base interactions energy: -111.563
where: short stacking energy: -57.730
Base-Backbone interact. energy: -0.012
local terms energy: -53.866296
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -7.126
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -9.843
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: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -105.548276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.548276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.548276 (E_RNA)
where:
Base-Base interactions energy: -52.793
where: short stacking energy: -42.914
Base-Backbone interact. energy: -0.010
local terms energy: -52.744984
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -2.700
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -99.016948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.016948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.016948 (E_RNA)
where:
Base-Base interactions energy: -45.740
where: short stacking energy: -45.740
Base-Backbone interact. energy: 0.675
local terms energy: -53.952019
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -234.426642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.426642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.426642 (E_RNA)
where:
Base-Base interactions energy: -156.186
where: short stacking energy: -78.748
Base-Backbone interact. energy: -0.314
local terms energy: -77.926806
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -222.471994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.471994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.471994 (E_RNA)
where:
Base-Base interactions energy: -146.187
where: short stacking energy: -73.064
Base-Backbone interact. energy: -0.203
local terms energy: -76.081671
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -224.947434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.947434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.947434 (E_RNA)
where:
Base-Base interactions energy: -153.110
where: short stacking energy: -71.710
Base-Backbone interact. energy: -0.102
local terms energy: -71.735049
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -6.237
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: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -210.143045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.143045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.143045 (E_RNA)
where:
Base-Base interactions energy: -139.644
where: short stacking energy: -70.988
Base-Backbone interact. energy: -0.239
local terms energy: -70.259916
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -174.768950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.768950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.768950 (E_RNA)
where:
Base-Base interactions energy: -105.257
where: short stacking energy: -48.831
Base-Backbone interact. energy: -0.580
local terms energy: -68.931379
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -11.543
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: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -186.602175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.602175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.602175 (E_RNA)
where:
Base-Base interactions energy: -118.465
where: short stacking energy: -60.706
Base-Backbone interact. energy: -0.005
local terms energy: -68.132873
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -194.106891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.106891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.106891 (E_RNA)
where:
Base-Base interactions energy: -134.292
where: short stacking energy: -66.367
Base-Backbone interact. energy: -0.206
local terms energy: -59.609202
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -7.042
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -2.322
tors. eta vs tors. theta energy: -20.971
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: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -181.024127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.024127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.024127 (E_RNA)
where:
Base-Base interactions energy: -119.508
where: short stacking energy: -60.004
Base-Backbone interact. energy: -0.422
local terms energy: -61.093906
where:
bonds (distance) C4'-P energy: -8.908
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -90.519150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.519150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.519150 (E_RNA)
where:
Base-Base interactions energy: -40.750
where: short stacking energy: -40.750
Base-Backbone interact. energy: -0.161
local terms energy: -49.608009
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -7.687
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: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -86.964345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.964345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.964345 (E_RNA)
where:
Base-Base interactions energy: -31.031
where: short stacking energy: -28.945
Base-Backbone interact. energy: -0.073
local terms energy: -55.860597
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -228.886140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.886140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.886140 (E_RNA)
where:
Base-Base interactions energy: -154.531
where: short stacking energy: -73.450
Base-Backbone interact. energy: 0.043
local terms energy: -74.398708
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -228.236985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.236985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.236985 (E_RNA)
where:
Base-Base interactions energy: -149.761
where: short stacking energy: -73.856
Base-Backbone interact. energy: -0.607
local terms energy: -77.869140
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -19.774
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: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -222.794711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.794711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.794711 (E_RNA)
where:
Base-Base interactions energy: -142.292
where: short stacking energy: -74.812
Base-Backbone interact. energy: -0.550
local terms energy: -79.952599
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -20.092
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: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -221.763899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.763899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.763899 (E_RNA)
where:
Base-Base interactions energy: -150.992
where: short stacking energy: -75.223
Base-Backbone interact. energy: -2.021
local terms energy: -68.751238
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -9.474
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: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -191.467681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.467681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.467681 (E_RNA)
where:
Base-Base interactions energy: -124.441
where: short stacking energy: -63.523
Base-Backbone interact. energy: -0.101
local terms energy: -66.925832
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -181.733447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.733447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.733447 (E_RNA)
where:
Base-Base interactions energy: -115.606
where: short stacking energy: -62.679
Base-Backbone interact. energy: -0.002
local terms energy: -66.125521
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -181.956921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.956921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.956921 (E_RNA)
where:
Base-Base interactions energy: -110.382
where: short stacking energy: -50.013
Base-Backbone interact. energy: -0.820
local terms energy: -70.755847
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -12.603
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: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -168.736967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.736967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.736967 (E_RNA)
where:
Base-Base interactions energy: -102.276
where: short stacking energy: -49.492
Base-Backbone interact. energy: -0.992
local terms energy: -65.468872
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -91.160924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.160924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.160924 (E_RNA)
where:
Base-Base interactions energy: -53.165
where: short stacking energy: -25.921
Base-Backbone interact. energy: -1.016
local terms energy: -36.979277
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -1.442
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -85.393639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.393639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.393639 (E_RNA)
where:
Base-Base interactions energy: -39.772
where: short stacking energy: -30.261
Base-Backbone interact. energy: -0.017
local terms energy: -45.604034
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -221.334362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.334362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.334362 (E_RNA)
where:
Base-Base interactions energy: -145.460
where: short stacking energy: -69.482
Base-Backbone interact. energy: -0.491
local terms energy: -75.384247
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -228.139055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.139055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.139055 (E_RNA)
where:
Base-Base interactions energy: -156.216
where: short stacking energy: -78.994
Base-Backbone interact. energy: -0.346
local terms energy: -71.577019
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -222.503101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.503101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.503101 (E_RNA)
where:
Base-Base interactions energy: -146.710
where: short stacking energy: -71.923
Base-Backbone interact. energy: -0.000
local terms energy: -75.793058
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -18.793
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: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -193.337235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.337235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.337235 (E_RNA)
where:
Base-Base interactions energy: -125.452
where: short stacking energy: -60.717
Base-Backbone interact. energy: -0.234
local terms energy: -67.651316
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -14.551
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: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -206.483347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.483347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.483347 (E_RNA)
where:
Base-Base interactions energy: -135.447
where: short stacking energy: -70.702
Base-Backbone interact. energy: -0.790
local terms energy: -70.245953
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -19.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -186.156154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.156154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.156154 (E_RNA)
where:
Base-Base interactions energy: -126.867
where: short stacking energy: -53.616
Base-Backbone interact. energy: -0.288
local terms energy: -59.001249
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -13.233
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: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -175.925480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.925480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.925480 (E_RNA)
where:
Base-Base interactions energy: -108.594
where: short stacking energy: -53.290
Base-Backbone interact. energy: -1.149
local terms energy: -66.182962
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -13.653
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: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -165.094263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.094263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.094263 (E_RNA)
where:
Base-Base interactions energy: -106.852
where: short stacking energy: -57.002
Base-Backbone interact. energy: -0.157
local terms energy: -58.085156
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -75.528646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.528646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.528646 (E_RNA)
where:
Base-Base interactions energy: -25.892
where: short stacking energy: -24.207
Base-Backbone interact. energy: 1.911
local terms energy: -51.547987
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: 1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -89.285993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.285993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.285993 (E_RNA)
where:
Base-Base interactions energy: -41.447
where: short stacking energy: -27.370
Base-Backbone interact. energy: 0.057
local terms energy: -47.896011
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: 2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -236.085432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.085432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.085432 (E_RNA)
where:
Base-Base interactions energy: -157.181
where: short stacking energy: -78.247
Base-Backbone interact. energy: 1.732
local terms energy: -80.636456
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -21.924
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: 172
Temperature: 0.950000
Total energy: -232.775174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.775174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.775174 (E_RNA)
where:
Base-Base interactions energy: -152.177
where: short stacking energy: -77.337
Base-Backbone interact. energy: -0.264
local terms energy: -80.333412
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -20.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -212.589738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.589738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.589738 (E_RNA)
where:
Base-Base interactions energy: -139.351
where: short stacking energy: -68.129
Base-Backbone interact. energy: -0.970
local terms energy: -72.268898
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -181.152021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.152021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.152021 (E_RNA)
where:
Base-Base interactions energy: -118.582
where: short stacking energy: -62.008
Base-Backbone interact. energy: -0.198
local terms energy: -62.371621
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -199.103795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.103795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.103795 (E_RNA)
where:
Base-Base interactions energy: -130.457
where: short stacking energy: -68.754
Base-Backbone interact. energy: -0.065
local terms energy: -68.581648
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -179.324689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.324689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.324689 (E_RNA)
where:
Base-Base interactions energy: -110.271
where: short stacking energy: -56.404
Base-Backbone interact. energy: 1.410
local terms energy: -70.463264
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -7.291
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: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -172.399678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.399678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.399678 (E_RNA)
where:
Base-Base interactions energy: -109.337
where: short stacking energy: -54.918
Base-Backbone interact. energy: 0.438
local terms energy: -63.501509
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -11.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -171.644309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.644309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.644309 (E_RNA)
where:
Base-Base interactions energy: -105.455
where: short stacking energy: -54.805
Base-Backbone interact. energy: -0.035
local terms energy: -66.153687
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -14.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -107.659214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.659214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.659214 (E_RNA)
where:
Base-Base interactions energy: -58.633
where: short stacking energy: -44.125
Base-Backbone interact. energy: -0.172
local terms energy: -48.853814
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -5.038
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: -10.415
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: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -82.242695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.242695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.242695 (E_RNA)
where:
Base-Base interactions energy: -43.999
where: short stacking energy: -25.596
Base-Backbone interact. energy: -0.275
local terms energy: -37.968828
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -4.460
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -237.593404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.593404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.593404 (E_RNA)
where:
Base-Base interactions energy: -164.626
where: short stacking energy: -83.724
Base-Backbone interact. energy: -0.576
local terms energy: -72.390837
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -21.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -219.645638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.645638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.645638 (E_RNA)
where:
Base-Base interactions energy: -151.610
where: short stacking energy: -79.542
Base-Backbone interact. energy: 0.354
local terms energy: -68.390049
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -8.910
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: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -216.600764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.600764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.600764 (E_RNA)
where:
Base-Base interactions energy: -147.455
where: short stacking energy: -73.201
Base-Backbone interact. energy: -0.011
local terms energy: -69.134597
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -194.592676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.592676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.592676 (E_RNA)
where:
Base-Base interactions energy: -120.630
where: short stacking energy: -64.478
Base-Backbone interact. energy: 0.240
local terms energy: -74.202455
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -192.780112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.780112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.780112 (E_RNA)
where:
Base-Base interactions energy: -123.470
where: short stacking energy: -65.204
Base-Backbone interact. energy: -0.043
local terms energy: -69.267156
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -17.542
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: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -182.948356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.948356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.948356 (E_RNA)
where:
Base-Base interactions energy: -113.799
where: short stacking energy: -56.603
Base-Backbone interact. energy: 0.882
local terms energy: -70.031860
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -11.852
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: 7, replica: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -189.628050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.628050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.628050 (E_RNA)
where:
Base-Base interactions energy: -124.835
where: short stacking energy: -56.473
Base-Backbone interact. energy: -0.342
local terms energy: -64.450757
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -162.943198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.943198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.943198 (E_RNA)
where:
Base-Base interactions energy: -101.064
where: short stacking energy: -53.530
Base-Backbone interact. energy: -0.107
local terms energy: -61.772602
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -10.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -114.062904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.062904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.062904 (E_RNA)
where:
Base-Base interactions energy: -65.992
where: short stacking energy: -41.653
Base-Backbone interact. energy: -0.161
local terms energy: -47.909919
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -98.343340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.343340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.343340 (E_RNA)
where:
Base-Base interactions energy: -52.107
where: short stacking energy: -34.114
Base-Backbone interact. energy: -0.122
local terms energy: -46.113637
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -4.198
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: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -229.076579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.076579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.076579 (E_RNA)
where:
Base-Base interactions energy: -149.159
where: short stacking energy: -71.363
Base-Backbone interact. energy: -0.232
local terms energy: -79.686420
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -213.247422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.247422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.247422 (E_RNA)
where:
Base-Base interactions energy: -136.305
where: short stacking energy: -64.726
Base-Backbone interact. energy: -0.655
local terms energy: -76.287269
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -207.230833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.230833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.230833 (E_RNA)
where:
Base-Base interactions energy: -142.415
where: short stacking energy: -69.196
Base-Backbone interact. energy: -0.064
local terms energy: -64.751655
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -215.537002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.537002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.537002 (E_RNA)
where:
Base-Base interactions energy: -136.980
where: short stacking energy: -69.451
Base-Backbone interact. energy: -1.247
local terms energy: -77.310092
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -185.872643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.872643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.872643 (E_RNA)
where:
Base-Base interactions energy: -117.447
where: short stacking energy: -55.077
Base-Backbone interact. energy: -0.290
local terms energy: -68.135680
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -15.918
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: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -186.742892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.742892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.742892 (E_RNA)
where:
Base-Base interactions energy: -121.865
where: short stacking energy: -65.281
Base-Backbone interact. energy: -0.073
local terms energy: -64.804301
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -174.521336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.521336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.521336 (E_RNA)
where:
Base-Base interactions energy: -108.134
where: short stacking energy: -59.898
Base-Backbone interact. energy: -0.195
local terms energy: -66.192561
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -12.100
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: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -173.486764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.486764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.486764 (E_RNA)
where:
Base-Base interactions energy: -104.134
where: short stacking energy: -50.547
Base-Backbone interact. energy: -0.217
local terms energy: -69.135023
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -89.509374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.509374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.509374 (E_RNA)
where:
Base-Base interactions energy: -36.629
where: short stacking energy: -35.940
Base-Backbone interact. energy: -0.020
local terms energy: -52.860719
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -75.792608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.792608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.792608 (E_RNA)
where:
Base-Base interactions energy: -24.478
where: short stacking energy: -18.140
Base-Backbone interact. energy: -0.284
local terms energy: -51.030534
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: 3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -238.421442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.421442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.421442 (E_RNA)
where:
Base-Base interactions energy: -160.167
where: short stacking energy: -83.901
Base-Backbone interact. energy: -0.212
local terms energy: -78.042067
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -219.111828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.111828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.111828 (E_RNA)
where:
Base-Base interactions energy: -143.644
where: short stacking energy: -61.986
Base-Backbone interact. energy: -1.753
local terms energy: -73.714006
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -203.889459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.889459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.889459 (E_RNA)
where:
Base-Base interactions energy: -137.521
where: short stacking energy: -71.736
Base-Backbone interact. energy: 0.495
local terms energy: -66.863858
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -212.237991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.237991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.237991 (E_RNA)
where:
Base-Base interactions energy: -135.740
where: short stacking energy: -71.665
Base-Backbone interact. energy: -0.000
local terms energy: -76.497635
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -22.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -194.320917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.320917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.320917 (E_RNA)
where:
Base-Base interactions energy: -127.305
where: short stacking energy: -62.378
Base-Backbone interact. energy: -0.108
local terms energy: -66.907157
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -16.644
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: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -185.827648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.827648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.827648 (E_RNA)
where:
Base-Base interactions energy: -121.256
where: short stacking energy: -53.962
Base-Backbone interact. energy: -0.333
local terms energy: -64.239090
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -3.510
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: 7, replica: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -177.960762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.960762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.960762 (E_RNA)
where:
Base-Base interactions energy: -116.387
where: short stacking energy: -62.043
Base-Backbone interact. energy: -0.719
local terms energy: -60.854324
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -172.318081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.318081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.318081 (E_RNA)
where:
Base-Base interactions energy: -118.212
where: short stacking energy: -56.703
Base-Backbone interact. energy: -0.289
local terms energy: -53.816629
where:
bonds (distance) C4'-P energy: -7.922
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -13.430
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: 175
Temperature: 1.300000
Total energy: -87.985273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.985273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.985273 (E_RNA)
where:
Base-Base interactions energy: -36.681
where: short stacking energy: -36.681
Base-Backbone interact. energy: -0.185
local terms energy: -51.119770
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -9.786
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: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -87.706784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.706784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.706784 (E_RNA)
where:
Base-Base interactions energy: -35.238
where: short stacking energy: -24.267
Base-Backbone interact. energy: -0.444
local terms energy: -52.025008
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -1.753
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: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -230.331164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.331164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.331164 (E_RNA)
where:
Base-Base interactions energy: -150.276
where: short stacking energy: -70.196
Base-Backbone interact. energy: -0.281
local terms energy: -79.774472
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -23.303
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: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -233.777390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.777390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.777390 (E_RNA)
where:
Base-Base interactions energy: -154.570
where: short stacking energy: -81.639
Base-Backbone interact. energy: -1.124
local terms energy: -78.083957
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -20.580
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: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -226.154861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.154861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.154861 (E_RNA)
where:
Base-Base interactions energy: -154.753
where: short stacking energy: -75.205
Base-Backbone interact. energy: -0.002
local terms energy: -71.399167
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -19.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -199.339167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.339167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.339167 (E_RNA)
where:
Base-Base interactions energy: -131.177
where: short stacking energy: -64.732
Base-Backbone interact. energy: -0.001
local terms energy: -68.161025
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -16.412
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: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -184.427449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.427449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.427449 (E_RNA)
where:
Base-Base interactions energy: -122.084
where: short stacking energy: -64.831
Base-Backbone interact. energy: -0.297
local terms energy: -62.046166
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -8.698
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -185.953126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.953126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.953126 (E_RNA)
where:
Base-Base interactions energy: -113.734
where: short stacking energy: -66.479
Base-Backbone interact. energy: -1.695
local terms energy: -70.524229
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -17.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -172.495148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.495148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.495148 (E_RNA)
where:
Base-Base interactions energy: -110.761
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.003
local terms energy: -61.730607
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -174.213197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.213197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.213197 (E_RNA)
where:
Base-Base interactions energy: -118.131
where: short stacking energy: -58.929
Base-Backbone interact. energy: -0.097
local terms energy: -55.985559
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -10.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -87.229726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.229726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.229726 (E_RNA)
where:
Base-Base interactions energy: -31.160
where: short stacking energy: -28.351
Base-Backbone interact. energy: -0.106
local terms energy: -55.963361
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -97.572313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.572313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.572313 (E_RNA)
where:
Base-Base interactions energy: -41.818
where: short stacking energy: -41.818
Base-Backbone interact. energy: -0.007
local terms energy: -55.747006
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -4.625
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -13.701
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: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -238.537399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.537399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.537399 (E_RNA)
where:
Base-Base interactions energy: -157.980
where: short stacking energy: -75.050
Base-Backbone interact. energy: -0.065
local terms energy: -80.492394
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -21.855
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: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -235.093036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.093036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.093036 (E_RNA)
where:
Base-Base interactions energy: -158.856
where: short stacking energy: -79.854
Base-Backbone interact. energy: -0.002
local terms energy: -76.234334
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -22.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -198.337689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.337689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.337689 (E_RNA)
where:
Base-Base interactions energy: -121.502
where: short stacking energy: -66.381
Base-Backbone interact. energy: -0.001
local terms energy: -76.835107
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -196.115944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.115944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.115944 (E_RNA)
where:
Base-Base interactions energy: -131.264
where: short stacking energy: -78.478
Base-Backbone interact. energy: -0.013
local terms energy: -64.837977
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -20.025
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: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -191.742093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.742093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.742093 (E_RNA)
where:
Base-Base interactions energy: -126.505
where: short stacking energy: -73.351
Base-Backbone interact. energy: -0.005
local terms energy: -65.231207
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -14.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -193.571819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.571819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.571819 (E_RNA)
where:
Base-Base interactions energy: -128.051
where: short stacking energy: -57.210
Base-Backbone interact. energy: -0.041
local terms energy: -65.480188
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -178.183165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.183165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.183165 (E_RNA)
where:
Base-Base interactions energy: -117.659
where: short stacking energy: -55.673
Base-Backbone interact. energy: 1.505
local terms energy: -62.028185
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -8.829
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: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -173.944198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.944198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.944198 (E_RNA)
where:
Base-Base interactions energy: -118.549
where: short stacking energy: -59.716
Base-Backbone interact. energy: -0.142
local terms energy: -55.253008
where:
bonds (distance) C4'-P energy: -5.886
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -81.909629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.909629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.909629 (E_RNA)
where:
Base-Base interactions energy: -33.795
where: short stacking energy: -26.599
Base-Backbone interact. energy: -1.265
local terms energy: -46.850216
where:
bonds (distance) C4'-P energy: -5.553
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -2.826
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: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -78.417905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.417905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.417905 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -32.906
Base-Backbone interact. energy: 0.257
local terms energy: -45.768810
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -242.837170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.837170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.837170 (E_RNA)
where:
Base-Base interactions energy: -161.991
where: short stacking energy: -88.226
Base-Backbone interact. energy: -0.003
local terms energy: -80.843178
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -20.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -223.042269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.042269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.042269 (E_RNA)
where:
Base-Base interactions energy: -143.974
where: short stacking energy: -72.787
Base-Backbone interact. energy: -0.004
local terms energy: -79.065229
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -224.642506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.642506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.642506 (E_RNA)
where:
Base-Base interactions energy: -150.327
where: short stacking energy: -78.559
Base-Backbone interact. energy: -0.006
local terms energy: -74.310465
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -11.205
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: 4, replica: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -193.123634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.123634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.123634 (E_RNA)
where:
Base-Base interactions energy: -127.481
where: short stacking energy: -68.551
Base-Backbone interact. energy: -0.761
local terms energy: -64.881576
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -9.437
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -203.189830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.189830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.189830 (E_RNA)
where:
Base-Base interactions energy: -132.903
where: short stacking energy: -56.589
Base-Backbone interact. energy: -0.180
local terms energy: -70.106739
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -11.912
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: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -183.881973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.881973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.881973 (E_RNA)
where:
Base-Base interactions energy: -125.897
where: short stacking energy: -58.352
Base-Backbone interact. energy: 0.076
local terms energy: -58.061275
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -174.185156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.185156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.185156 (E_RNA)
where:
Base-Base interactions energy: -116.059
where: short stacking energy: -66.444
Base-Backbone interact. energy: -0.055
local terms energy: -58.070576
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -8.741
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: 8, replica: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -172.802255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.802255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.802255 (E_RNA)
where:
Base-Base interactions energy: -112.951
where: short stacking energy: -59.862
Base-Backbone interact. energy: -0.512
local terms energy: -59.339491
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -3.324
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: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -92.034299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.034299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.034299 (E_RNA)
where:
Base-Base interactions energy: -41.940
where: short stacking energy: -41.940
Base-Backbone interact. energy: 0.831
local terms energy: -50.925572
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -10.723
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: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -79.865796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.865796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.865796 (E_RNA)
where:
Base-Base interactions energy: -32.783
where: short stacking energy: -32.783
Base-Backbone interact. energy: -0.032
local terms energy: -47.050656
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -2.766
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -239.232947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.232947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.232947 (E_RNA)
where:
Base-Base interactions energy: -161.654
where: short stacking energy: -83.889
Base-Backbone interact. energy: -0.001
local terms energy: -77.578508
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -234.676940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.676940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.676940 (E_RNA)
where:
Base-Base interactions energy: -151.641
where: short stacking energy: -79.795
Base-Backbone interact. energy: -0.003
local terms energy: -83.032993
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -217.985742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.985742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.985742 (E_RNA)
where:
Base-Base interactions energy: -143.703
where: short stacking energy: -69.170
Base-Backbone interact. energy: -0.055
local terms energy: -74.227607
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -214.448256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.448256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.448256 (E_RNA)
where:
Base-Base interactions energy: -141.367
where: short stacking energy: -66.076
Base-Backbone interact. energy: -0.943
local terms energy: -72.138371
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -15.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -197.898066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.898066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.898066 (E_RNA)
where:
Base-Base interactions energy: -128.512
where: short stacking energy: -72.280
Base-Backbone interact. energy: -0.708
local terms energy: -68.677609
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -9.167
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: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -184.295970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.295970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.295970 (E_RNA)
where:
Base-Base interactions energy: -121.468
where: short stacking energy: -65.500
Base-Backbone interact. energy: -0.088
local terms energy: -62.739727
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -165.221045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.221045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.221045 (E_RNA)
where:
Base-Base interactions energy: -110.617
where: short stacking energy: -55.732
Base-Backbone interact. energy: -0.034
local terms energy: -54.569962
where:
bonds (distance) C4'-P energy: -7.478
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: -10.978
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: 5
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -172.958272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.958272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.958272 (E_RNA)
where:
Base-Base interactions energy: -111.645
where: short stacking energy: -67.185
Base-Backbone interact. energy: -0.981
local terms energy: -60.331862
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -9.519
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -12.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -96.380046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.380046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.380046 (E_RNA)
where:
Base-Base interactions energy: -38.537
where: short stacking energy: -37.100
Base-Backbone interact. energy: -0.018
local terms energy: -57.825341
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -84.236988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.236988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.236988 (E_RNA)
where:
Base-Base interactions energy: -37.994
where: short stacking energy: -37.461
Base-Backbone interact. energy: -0.029
local terms energy: -46.213825
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -7.970
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -233.848706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.848706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.848706 (E_RNA)
where:
Base-Base interactions energy: -157.087
where: short stacking energy: -77.473
Base-Backbone interact. energy: -0.100
local terms energy: -76.661549
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -21.636
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: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -240.425215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.425215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.425215 (E_RNA)
where:
Base-Base interactions energy: -160.250
where: short stacking energy: -83.958
Base-Backbone interact. energy: -0.000
local terms energy: -80.175355
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -14.665
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: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -209.040840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.040840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.040840 (E_RNA)
where:
Base-Base interactions energy: -136.097
where: short stacking energy: -65.146
Base-Backbone interact. energy: -1.365
local terms energy: -71.579424
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -19.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -217.192464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.192464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.192464 (E_RNA)
where:
Base-Base interactions energy: -142.704
where: short stacking energy: -77.178
Base-Backbone interact. energy: -0.242
local terms energy: -74.246966
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -198.219684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.219684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.219684 (E_RNA)
where:
Base-Base interactions energy: -133.250
where: short stacking energy: -61.234
Base-Backbone interact. energy: -1.058
local terms energy: -63.911736
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -189.732936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.732936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.732936 (E_RNA)
where:
Base-Base interactions energy: -119.744
where: short stacking energy: -63.747
Base-Backbone interact. energy: -1.739
local terms energy: -68.250805
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -17.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -181.955700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.955700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.955700 (E_RNA)
where:
Base-Base interactions energy: -117.203
where: short stacking energy: -64.234
Base-Backbone interact. energy: -0.807
local terms energy: -63.946542
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -13.396
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: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -159.354450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.354450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.354450 (E_RNA)
where:
Base-Base interactions energy: -106.913
where: short stacking energy: -53.169
Base-Backbone interact. energy: -0.465
local terms energy: -51.975935
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -7.015
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: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -90.234605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.234605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.234605 (E_RNA)
where:
Base-Base interactions energy: -44.784
where: short stacking energy: -37.088
Base-Backbone interact. energy: -0.534
local terms energy: -44.916771
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.459
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: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -86.493708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.493708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.493708 (E_RNA)
where:
Base-Base interactions energy: -35.311
where: short stacking energy: -35.711
Base-Backbone interact. energy: -0.147
local terms energy: -51.036198
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -6.560
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -7.070
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: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -236.905803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.905803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.905803 (E_RNA)
where:
Base-Base interactions energy: -160.789
where: short stacking energy: -83.263
Base-Backbone interact. energy: 0.628
local terms energy: -76.745288
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -8.775
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: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -223.643931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.643931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.643931 (E_RNA)
where:
Base-Base interactions energy: -141.984
where: short stacking energy: -71.443
Base-Backbone interact. energy: -0.089
local terms energy: -81.571060
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -228.674794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.674794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.674794 (E_RNA)
where:
Base-Base interactions energy: -152.584
where: short stacking energy: -72.845
Base-Backbone interact. energy: -0.061
local terms energy: -76.030093
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -11.824
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: 4, replica: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -190.513803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.513803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.513803 (E_RNA)
where:
Base-Base interactions energy: -125.095
where: short stacking energy: -60.123
Base-Backbone interact. energy: -0.072
local terms energy: -65.346850
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -11.410
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: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -209.746964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.746964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.746964 (E_RNA)
where:
Base-Base interactions energy: -138.696
where: short stacking energy: -68.141
Base-Backbone interact. energy: -0.537
local terms energy: -70.514412
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -175.143762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.143762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.143762 (E_RNA)
where:
Base-Base interactions energy: -113.218
where: short stacking energy: -62.896
Base-Backbone interact. energy: 1.996
local terms energy: -63.922014
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -14.324
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: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -177.196787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.196787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.196787 (E_RNA)
where:
Base-Base interactions energy: -113.786
where: short stacking energy: -61.674
Base-Backbone interact. energy: -0.405
local terms energy: -63.006379
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -8.026
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: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -178.570130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.570130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.570130 (E_RNA)
where:
Base-Base interactions energy: -116.065
where: short stacking energy: -67.486
Base-Backbone interact. energy: -0.420
local terms energy: -62.085502
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -102.780156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.780156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.780156 (E_RNA)
where:
Base-Base interactions energy: -52.548
where: short stacking energy: -25.041
Base-Backbone interact. energy: -0.118
local terms energy: -50.113858
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -81.000038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.000038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.000038 (E_RNA)
where:
Base-Base interactions energy: -45.884
where: short stacking energy: -41.399
Base-Backbone interact. energy: -0.071
local terms energy: -35.044997
where:
bonds (distance) C4'-P energy: -4.866
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -229.877638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.877638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.877638 (E_RNA)
where:
Base-Base interactions energy: -147.403
where: short stacking energy: -79.379
Base-Backbone interact. energy: -0.286
local terms energy: -82.188978
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -22.709
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: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -226.880231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.880231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.880231 (E_RNA)
where:
Base-Base interactions energy: -147.058
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.482
local terms energy: -79.340062
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -225.166985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.166985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.166985 (E_RNA)
where:
Base-Base interactions energy: -151.058
where: short stacking energy: -78.786
Base-Backbone interact. energy: 0.503
local terms energy: -74.612106
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -19.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -215.182773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.182773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.182773 (E_RNA)
where:
Base-Base interactions energy: -142.541
where: short stacking energy: -62.280
Base-Backbone interact. energy: -0.426
local terms energy: -72.216111
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -217.211423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.211423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.211423 (E_RNA)
where:
Base-Base interactions energy: -144.077
where: short stacking energy: -77.827
Base-Backbone interact. energy: -0.007
local terms energy: -73.127987
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -181.553376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.553376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.553376 (E_RNA)
where:
Base-Base interactions energy: -125.733
where: short stacking energy: -72.608
Base-Backbone interact. energy: -0.314
local terms energy: -55.506722
where:
bonds (distance) C4'-P energy: -6.175
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -187.806369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.806369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.806369 (E_RNA)
where:
Base-Base interactions energy: -120.925
where: short stacking energy: -63.058
Base-Backbone interact. energy: -0.007
local terms energy: -66.874547
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -119.148335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.148335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.148335 (E_RNA)
where:
Base-Base interactions energy: -75.526
where: short stacking energy: -30.501
Base-Backbone interact. energy: 0.536
local terms energy: -44.158009
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -9.468
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -1.865
tors. eta vs tors. theta energy: -5.876
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: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -88.176093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.176093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.176093 (E_RNA)
where:
Base-Base interactions energy: -36.204
where: short stacking energy: -36.204
Base-Backbone interact. energy: -0.119
local terms energy: -51.853068
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -7.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -76.281694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.281694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.281694 (E_RNA)
where:
Base-Base interactions energy: -30.036
where: short stacking energy: -14.150
Base-Backbone interact. energy: -0.156
local terms energy: -46.089667
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -8.342
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: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -220.881967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.881967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.881967 (E_RNA)
where:
Base-Base interactions energy: -142.323
where: short stacking energy: -70.692
Base-Backbone interact. energy: 1.176
local terms energy: -79.734564
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -230.177642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.177642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.177642 (E_RNA)
where:
Base-Base interactions energy: -155.415
where: short stacking energy: -84.044
Base-Backbone interact. energy: -0.584
local terms energy: -74.179312
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -214.514950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.514950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.514950 (E_RNA)
where:
Base-Base interactions energy: -141.640
where: short stacking energy: -71.735
Base-Backbone interact. energy: -0.858
local terms energy: -72.016939
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -9.203
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: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -221.985174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.985174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.985174 (E_RNA)
where:
Base-Base interactions energy: -148.559
where: short stacking energy: -75.720
Base-Backbone interact. energy: -0.008
local terms energy: -73.417856
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -20.163
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: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -205.935286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.935286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.935286 (E_RNA)
where:
Base-Base interactions energy: -136.105
where: short stacking energy: -66.690
Base-Backbone interact. energy: -0.084
local terms energy: -69.746222
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -9.707
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: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -202.126407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.126407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.126407 (E_RNA)
where:
Base-Base interactions energy: -133.786
where: short stacking energy: -62.643
Base-Backbone interact. energy: 0.130
local terms energy: -68.470542
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -9.753
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: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -178.806058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.806058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.806058 (E_RNA)
where:
Base-Base interactions energy: -123.922
where: short stacking energy: -64.382
Base-Backbone interact. energy: -0.049
local terms energy: -54.835204
where:
bonds (distance) C4'-P energy: -4.762
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -14.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -112.633737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.633737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.633737 (E_RNA)
where:
Base-Base interactions energy: -48.632
where: short stacking energy: -41.402
Base-Backbone interact. energy: -0.098
local terms energy: -63.903871
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -5.169
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: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -84.636129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.636129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.636129 (E_RNA)
where:
Base-Base interactions energy: -36.278
where: short stacking energy: -36.278
Base-Backbone interact. energy: -0.134
local terms energy: -48.224538
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -100.256919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.256919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.256919 (E_RNA)
where:
Base-Base interactions energy: -39.252
where: short stacking energy: -39.252
Base-Backbone interact. energy: -0.001
local terms energy: -61.004076
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: -13.947
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: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -241.913513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.913513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.913513 (E_RNA)
where:
Base-Base interactions energy: -160.919
where: short stacking energy: -84.027
Base-Backbone interact. energy: -0.001
local terms energy: -80.993907
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -23.594
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: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -230.024787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.024787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.024787 (E_RNA)
where:
Base-Base interactions energy: -147.037
where: short stacking energy: -73.425
Base-Backbone interact. energy: -0.461
local terms energy: -82.527545
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -218.100693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.100693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.100693 (E_RNA)
where:
Base-Base interactions energy: -143.549
where: short stacking energy: -73.723
Base-Backbone interact. energy: -0.044
local terms energy: -74.508066
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -7.111
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: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -213.151200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.151200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.151200 (E_RNA)
where:
Base-Base interactions energy: -139.381
where: short stacking energy: -65.980
Base-Backbone interact. energy: -0.668
local terms energy: -73.102701
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -200.677385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.677385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.677385 (E_RNA)
where:
Base-Base interactions energy: -135.408
where: short stacking energy: -65.718
Base-Backbone interact. energy: -0.021
local terms energy: -65.248069
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -10.588
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: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -181.989722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.989722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.989722 (E_RNA)
where:
Base-Base interactions energy: -112.236
where: short stacking energy: -62.088
Base-Backbone interact. energy: -0.005
local terms energy: -69.749065
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -11.458
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: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -207.562810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.562810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.562810 (E_RNA)
where:
Base-Base interactions energy: -135.395
where: short stacking energy: -63.156
Base-Backbone interact. energy: -0.498
local terms energy: -71.669979
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -108.368356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.368356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.368356 (E_RNA)
where:
Base-Base interactions energy: -54.320
where: short stacking energy: -38.499
Base-Backbone interact. energy: -0.219
local terms energy: -53.828618
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -8.246
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: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -88.563734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.563734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.563734 (E_RNA)
where:
Base-Base interactions energy: -31.219
where: short stacking energy: -31.219
Base-Backbone interact. energy: -0.098
local terms energy: -57.246689
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -82.710173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.710173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.710173 (E_RNA)
where:
Base-Base interactions energy: -44.622
where: short stacking energy: -33.995
Base-Backbone interact. energy: -0.324
local terms energy: -37.764286
where:
bonds (distance) C4'-P energy: -7.492
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -8.649
flat angles P-C4'-P energy: 0.364
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -239.360050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.360050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.360050 (E_RNA)
where:
Base-Base interactions energy: -165.197
where: short stacking energy: -83.843
Base-Backbone interact. energy: -0.042
local terms energy: -74.120617
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -219.640172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.640172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.640172 (E_RNA)
where:
Base-Base interactions energy: -149.368
where: short stacking energy: -69.311
Base-Backbone interact. energy: -0.065
local terms energy: -70.207249
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -228.166139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.166139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.166139 (E_RNA)
where:
Base-Base interactions energy: -154.082
where: short stacking energy: -83.288
Base-Backbone interact. energy: -0.965
local terms energy: -73.119737
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -19.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -210.288859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.288859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.288859 (E_RNA)
where:
Base-Base interactions energy: -139.739
where: short stacking energy: -70.879
Base-Backbone interact. energy: -0.001
local terms energy: -70.549294
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -215.019677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.019677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.019677 (E_RNA)
where:
Base-Base interactions energy: -139.905
where: short stacking energy: -67.180
Base-Backbone interact. energy: -0.111
local terms energy: -75.003376
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -179.666211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.666211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.666211 (E_RNA)
where:
Base-Base interactions energy: -117.337
where: short stacking energy: -60.361
Base-Backbone interact. energy: -0.439
local terms energy: -61.890646
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -7.761
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: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -194.272466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.272466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.272466 (E_RNA)
where:
Base-Base interactions energy: -126.705
where: short stacking energy: -56.109
Base-Backbone interact. energy: -0.101
local terms energy: -67.466878
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -95.765309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.765309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.765309 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -34.955
Base-Backbone interact. energy: 0.019
local terms energy: -58.056653
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -9.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -107.230139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.230139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.230139 (E_RNA)
where:
Base-Base interactions energy: -40.821
where: short stacking energy: -39.574
Base-Backbone interact. energy: -0.024
local terms energy: -66.385215
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -11.201
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: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -94.676932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.676932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.676932 (E_RNA)
where:
Base-Base interactions energy: -42.875
where: short stacking energy: -26.589
Base-Backbone interact. energy: -0.084
local terms energy: -51.718403
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -238.202300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.202300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.202300 (E_RNA)
where:
Base-Base interactions energy: -152.942
where: short stacking energy: -73.532
Base-Backbone interact. energy: -0.025
local terms energy: -85.235213
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -225.510801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.510801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.510801 (E_RNA)
where:
Base-Base interactions energy: -147.510
where: short stacking energy: -75.180
Base-Backbone interact. energy: 0.138
local terms energy: -78.139623
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -223.272339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.272339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.272339 (E_RNA)
where:
Base-Base interactions energy: -150.222
where: short stacking energy: -80.412
Base-Backbone interact. energy: -0.001
local terms energy: -73.049630
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -19.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -216.434319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.434319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.434319 (E_RNA)
where:
Base-Base interactions energy: -150.650
where: short stacking energy: -71.822
Base-Backbone interact. energy: -0.109
local terms energy: -65.675023
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -10.664
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: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -206.055803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.055803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.055803 (E_RNA)
where:
Base-Base interactions energy: -136.516
where: short stacking energy: -63.369
Base-Backbone interact. energy: -0.274
local terms energy: -69.264931
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -189.428082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.428082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.428082 (E_RNA)
where:
Base-Base interactions energy: -127.189
where: short stacking energy: -65.310
Base-Backbone interact. energy: -0.299
local terms energy: -61.939912
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -14.773
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: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -171.328239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.328239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.328239 (E_RNA)
where:
Base-Base interactions energy: -110.420
where: short stacking energy: -54.921
Base-Backbone interact. energy: -0.111
local terms energy: -60.796310
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -13.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -93.765077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.765077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.765077 (E_RNA)
where:
Base-Base interactions energy: -40.636
where: short stacking energy: -36.641
Base-Backbone interact. energy: -0.166
local terms energy: -52.963625
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -97.405096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.405096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.405096 (E_RNA)
where:
Base-Base interactions energy: -39.051
where: short stacking energy: -39.051
Base-Backbone interact. energy: -0.138
local terms energy: -58.215976
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -98.663459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.663459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.663459 (E_RNA)
where:
Base-Base interactions energy: -44.812
where: short stacking energy: -44.812
Base-Backbone interact. energy: 0.016
local terms energy: -53.867892
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -7.298
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: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -239.713875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.713875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.713875 (E_RNA)
where:
Base-Base interactions energy: -159.746
where: short stacking energy: -83.069
Base-Backbone interact. energy: 2.454
local terms energy: -82.422151
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -23.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -224.080242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.080242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.080242 (E_RNA)
where:
Base-Base interactions energy: -151.425
where: short stacking energy: -81.573
Base-Backbone interact. energy: -0.017
local terms energy: -72.637967
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -218.873221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.873221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.873221 (E_RNA)
where:
Base-Base interactions energy: -147.761
where: short stacking energy: -67.493
Base-Backbone interact. energy: -0.001
local terms energy: -71.111571
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -184.860351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.860351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.860351 (E_RNA)
where:
Base-Base interactions energy: -127.333
where: short stacking energy: -58.753
Base-Backbone interact. energy: 2.716
local terms energy: -60.243830
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -7.956
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: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -194.078137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.078137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.078137 (E_RNA)
where:
Base-Base interactions energy: -127.524
where: short stacking energy: -53.235
Base-Backbone interact. energy: -0.664
local terms energy: -65.889895
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -10.349
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: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -198.390215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.390215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.390215 (E_RNA)
where:
Base-Base interactions energy: -124.546
where: short stacking energy: -59.929
Base-Backbone interact. energy: -0.041
local terms energy: -73.803132
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -9.945
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: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -181.696316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.696316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.696316 (E_RNA)
where:
Base-Base interactions energy: -105.766
where: short stacking energy: -52.393
Base-Backbone interact. energy: -0.004
local terms energy: -75.926064
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -93.225946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.225946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.225946 (E_RNA)
where:
Base-Base interactions energy: -44.927
where: short stacking energy: -40.609
Base-Backbone interact. energy: -0.208
local terms energy: -48.090439
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -6.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -87.530073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.530073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.530073 (E_RNA)
where:
Base-Base interactions energy: -35.282
where: short stacking energy: -34.854
Base-Backbone interact. energy: -0.175
local terms energy: -52.073702
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -11.361
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -11.356
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: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -98.312775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.312775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.312775 (E_RNA)
where:
Base-Base interactions energy: -56.014
where: short stacking energy: -29.186
Base-Backbone interact. energy: -0.111
local terms energy: -42.187834
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -8.746
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -239.205738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.205738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.205738 (E_RNA)
where:
Base-Base interactions energy: -160.806
where: short stacking energy: -82.628
Base-Backbone interact. energy: -0.701
local terms energy: -77.698657
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -230.269379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.269379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.269379 (E_RNA)
where:
Base-Base interactions energy: -148.520
where: short stacking energy: -76.685
Base-Backbone interact. energy: -0.025
local terms energy: -81.724842
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -208.660971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.660971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.660971 (E_RNA)
where:
Base-Base interactions energy: -140.501
where: short stacking energy: -69.847
Base-Backbone interact. energy: -1.389
local terms energy: -66.771178
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -8.960
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: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -207.014441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.014441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.014441 (E_RNA)
where:
Base-Base interactions energy: -131.264
where: short stacking energy: -62.080
Base-Backbone interact. energy: -0.007
local terms energy: -75.743372
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -12.658
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: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -202.574667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.574667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.574667 (E_RNA)
where:
Base-Base interactions energy: -134.221
where: short stacking energy: -66.342
Base-Backbone interact. energy: -0.304
local terms energy: -68.050613
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -198.063117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.063117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.063117 (E_RNA)
where:
Base-Base interactions energy: -124.310
where: short stacking energy: -54.394
Base-Backbone interact. energy: -1.458
local terms energy: -72.294905
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -13.890
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: 7, replica: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -179.992825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.992825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.992825 (E_RNA)
where:
Base-Base interactions energy: -116.586
where: short stacking energy: -56.334
Base-Backbone interact. energy: -1.098
local terms energy: -62.309018
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -100.752419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.752419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.752419 (E_RNA)
where:
Base-Base interactions energy: -41.773
where: short stacking energy: -30.948
Base-Backbone interact. energy: 0.082
local terms energy: -59.061043
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -93.076378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.076378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.076378 (E_RNA)
where:
Base-Base interactions energy: -34.277
where: short stacking energy: -31.411
Base-Backbone interact. energy: -0.016
local terms energy: -58.783886
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -118.580712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.580712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.580712 (E_RNA)
where:
Base-Base interactions energy: -61.822
where: short stacking energy: -45.479
Base-Backbone interact. energy: -0.094
local terms energy: -56.665077
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -232.168745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.168745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.168745 (E_RNA)
where:
Base-Base interactions energy: -149.654
where: short stacking energy: -77.123
Base-Backbone interact. energy: -0.007
local terms energy: -82.507395
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -22.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -216.510810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.510810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.510810 (E_RNA)
where:
Base-Base interactions energy: -144.592
where: short stacking energy: -75.527
Base-Backbone interact. energy: -0.006
local terms energy: -71.913155
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -208.120119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.120119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.120119 (E_RNA)
where:
Base-Base interactions energy: -136.941
where: short stacking energy: -75.365
Base-Backbone interact. energy: -0.252
local terms energy: -70.927524
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -224.154974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.154974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.154974 (E_RNA)
where:
Base-Base interactions energy: -146.303
where: short stacking energy: -78.917
Base-Backbone interact. energy: -0.225
local terms energy: -77.626828
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -189.434250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.434250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.434250 (E_RNA)
where:
Base-Base interactions energy: -127.974
where: short stacking energy: -55.761
Base-Backbone interact. energy: -0.389
local terms energy: -61.070703
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -14.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -181.955990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.955990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.955990 (E_RNA)
where:
Base-Base interactions energy: -121.276
where: short stacking energy: -63.298
Base-Backbone interact. energy: -0.315
local terms energy: -60.365265
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -203.383156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.383156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.383156 (E_RNA)
where:
Base-Base interactions energy: -136.693
where: short stacking energy: -71.424
Base-Backbone interact. energy: 0.315
local terms energy: -67.005477
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -110.175203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.175203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.175203 (E_RNA)
where:
Base-Base interactions energy: -56.281
where: short stacking energy: -34.423
Base-Backbone interact. energy: -0.276
local terms energy: -53.618207
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -9.302
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: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -86.979278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.979278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.979278 (E_RNA)
where:
Base-Base interactions energy: -40.534
where: short stacking energy: -34.223
Base-Backbone interact. energy: -0.243
local terms energy: -46.202137
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: 0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -88.728374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.728374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.728374 (E_RNA)
where:
Base-Base interactions energy: -45.192
where: short stacking energy: -34.644
Base-Backbone interact. energy: 0.911
local terms energy: -44.446651
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -5.798
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: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -237.234764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.234764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.234764 (E_RNA)
where:
Base-Base interactions energy: -164.115
where: short stacking energy: -77.906
Base-Backbone interact. energy: -0.039
local terms energy: -73.081482
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -214.388082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.388082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.388082 (E_RNA)
where:
Base-Base interactions energy: -149.734
where: short stacking energy: -65.605
Base-Backbone interact. energy: -0.068
local terms energy: -64.585781
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -14.357
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: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -226.938026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.938026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.938026 (E_RNA)
where:
Base-Base interactions energy: -147.396
where: short stacking energy: -77.415
Base-Backbone interact. energy: -0.013
local terms energy: -79.528838
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -211.199880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.199880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.199880 (E_RNA)
where:
Base-Base interactions energy: -136.148
where: short stacking energy: -67.352
Base-Backbone interact. energy: -0.001
local terms energy: -75.051052
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -11.512
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: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -197.077692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.077692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.077692 (E_RNA)
where:
Base-Base interactions energy: -131.245
where: short stacking energy: -63.470
Base-Backbone interact. energy: -0.184
local terms energy: -65.649069
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -15.534
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: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -197.142764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.142764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.142764 (E_RNA)
where:
Base-Base interactions energy: -125.021
where: short stacking energy: -57.865
Base-Backbone interact. energy: -0.117
local terms energy: -72.004760
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -11.336
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: 7, replica: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -179.308879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.308879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.308879 (E_RNA)
where:
Base-Base interactions energy: -118.004
where: short stacking energy: -51.059
Base-Backbone interact. energy: -0.007
local terms energy: -61.297684
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -10.792
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: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -110.736824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.736824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.736824 (E_RNA)
where:
Base-Base interactions energy: -53.272
where: short stacking energy: -29.842
Base-Backbone interact. energy: -0.700
local terms energy: -56.764896
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -6.984
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: 9, replica: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -77.730698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.730698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.730698 (E_RNA)
where:
Base-Base interactions energy: -30.297
where: short stacking energy: -27.176
Base-Backbone interact. energy: -0.073
local terms energy: -47.360298
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -8.343
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -85.752477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.752477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.752477 (E_RNA)
where:
Base-Base interactions energy: -30.876
where: short stacking energy: -24.020
Base-Backbone interact. energy: -0.222
local terms energy: -54.654798
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -9.707
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: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -236.847542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.847542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.847542 (E_RNA)
where:
Base-Base interactions energy: -152.889
where: short stacking energy: -79.606
Base-Backbone interact. energy: -0.021
local terms energy: -83.938001
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -21.551
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: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -216.314545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.314545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.314545 (E_RNA)
where:
Base-Base interactions energy: -143.304
where: short stacking energy: -67.556
Base-Backbone interact. energy: -0.354
local terms energy: -72.656736
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -16.227
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: 9
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -203.250379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.250379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.250379 (E_RNA)
where:
Base-Base interactions energy: -132.632
where: short stacking energy: -64.785
Base-Backbone interact. energy: -0.123
local terms energy: -70.495238
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -10.538
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: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -205.002494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.002494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.002494 (E_RNA)
where:
Base-Base interactions energy: -135.207
where: short stacking energy: -65.152
Base-Backbone interact. energy: -0.089
local terms energy: -69.707240
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -202.580194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.580194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.580194 (E_RNA)
where:
Base-Base interactions energy: -128.763
where: short stacking energy: -65.781
Base-Backbone interact. energy: -0.353
local terms energy: -73.464873
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -19.755
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: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -201.141063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.141063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.141063 (E_RNA)
where:
Base-Base interactions energy: -133.689
where: short stacking energy: -64.455
Base-Backbone interact. energy: -0.042
local terms energy: -67.409621
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -191.105020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.105020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.105020 (E_RNA)
where:
Base-Base interactions energy: -129.145
where: short stacking energy: -63.440
Base-Backbone interact. energy: -0.327
local terms energy: -61.633442
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -12.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -121.055323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.055323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.055323 (E_RNA)
where:
Base-Base interactions energy: -58.158
where: short stacking energy: -48.659
Base-Backbone interact. energy: 0.151
local terms energy: -63.048081
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -99.707518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.707518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.707518 (E_RNA)
where:
Base-Base interactions energy: -43.377
where: short stacking energy: -43.377
Base-Backbone interact. energy: -0.096
local terms energy: -56.234515
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -76.308810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.308810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.308810 (E_RNA)
where:
Base-Base interactions energy: -33.449
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.091
local terms energy: -42.768755
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -232.514183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.514183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.514183 (E_RNA)
where:
Base-Base interactions energy: -153.778
where: short stacking energy: -77.170
Base-Backbone interact. energy: -0.023
local terms energy: -78.713333
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -226.106673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.106673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.106673 (E_RNA)
where:
Base-Base interactions energy: -155.312
where: short stacking energy: -79.579
Base-Backbone interact. energy: -0.214
local terms energy: -70.581093
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -219.624720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.624720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.624720 (E_RNA)
where:
Base-Base interactions energy: -142.694
where: short stacking energy: -74.484
Base-Backbone interact. energy: -0.326
local terms energy: -76.603960
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -7.780
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: 4, replica: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -190.811656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.811656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.811656 (E_RNA)
where:
Base-Base interactions energy: -124.861
where: short stacking energy: -69.987
Base-Backbone interact. energy: -0.163
local terms energy: -65.786861
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -204.794851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.794851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.794851 (E_RNA)
where:
Base-Base interactions energy: -141.215
where: short stacking energy: -69.879
Base-Backbone interact. energy: -0.056
local terms energy: -63.524560
where:
bonds (distance) C4'-P energy: -7.379
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -198.288374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.288374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.288374 (E_RNA)
where:
Base-Base interactions energy: -127.680
where: short stacking energy: -59.909
Base-Backbone interact. energy: -0.936
local terms energy: -69.672102
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -174.377803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.377803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.377803 (E_RNA)
where:
Base-Base interactions energy: -110.415
where: short stacking energy: -57.537
Base-Backbone interact. energy: -0.806
local terms energy: -63.156581
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -104.039487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.039487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.039487 (E_RNA)
where:
Base-Base interactions energy: -60.690
where: short stacking energy: -37.695
Base-Backbone interact. energy: -0.226
local terms energy: -43.122785
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -103.156836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.156836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.156836 (E_RNA)
where:
Base-Base interactions energy: -44.845
where: short stacking energy: -38.150
Base-Backbone interact. energy: -0.098
local terms energy: -58.213416
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -7.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -87.267709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.267709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.267709 (E_RNA)
where:
Base-Base interactions energy: -44.734
where: short stacking energy: -33.824
Base-Backbone interact. energy: 0.096
local terms energy: -42.629617
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -3.329
tors. eta vs tors. theta energy: -6.554
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: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -235.177025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.177025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.177025 (E_RNA)
where:
Base-Base interactions energy: -163.337
where: short stacking energy: -78.321
Base-Backbone interact. energy: -0.019
local terms energy: -71.821926
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -20.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -225.535985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.535985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.535985 (E_RNA)
where:
Base-Base interactions energy: -144.803
where: short stacking energy: -72.987
Base-Backbone interact. energy: -0.025
local terms energy: -80.708275
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -21.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -210.546492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.546492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.546492 (E_RNA)
where:
Base-Base interactions energy: -133.174
where: short stacking energy: -75.492
Base-Backbone interact. energy: -0.036
local terms energy: -77.336405
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -15.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -212.520220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.520220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.520220 (E_RNA)
where:
Base-Base interactions energy: -137.736
where: short stacking energy: -59.280
Base-Backbone interact. energy: -0.752
local terms energy: -74.032014
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -17.109
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: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -207.589795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.589795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.589795 (E_RNA)
where:
Base-Base interactions energy: -130.668
where: short stacking energy: -66.223
Base-Backbone interact. energy: -0.417
local terms energy: -76.504229
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -189.762457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.762457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.762457 (E_RNA)
where:
Base-Base interactions energy: -118.411
where: short stacking energy: -53.317
Base-Backbone interact. energy: -0.117
local terms energy: -71.234484
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -173.227854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.227854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.227854 (E_RNA)
where:
Base-Base interactions energy: -115.687
where: short stacking energy: -44.317
Base-Backbone interact. energy: -0.662
local terms energy: -56.879164
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -4.633
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: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -130.776492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.776492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.776492 (E_RNA)
where:
Base-Base interactions energy: -72.024
where: short stacking energy: -40.962
Base-Backbone interact. energy: -0.624
local terms energy: -58.128168
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -10.379
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: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -91.390770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.390770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.390770 (E_RNA)
where:
Base-Base interactions energy: -35.063
where: short stacking energy: -32.148
Base-Backbone interact. energy: -0.002
local terms energy: -56.325847
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -7.991
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: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -83.417803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.417803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.417803 (E_RNA)
where:
Base-Base interactions energy: -30.965
where: short stacking energy: -25.181
Base-Backbone interact. energy: -0.152
local terms energy: -52.300425
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -236.553334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.553334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.553334 (E_RNA)
where:
Base-Base interactions energy: -157.680
where: short stacking energy: -82.409
Base-Backbone interact. energy: -0.156
local terms energy: -78.716741
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -22.748
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: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -228.478775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.478775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.478775 (E_RNA)
where:
Base-Base interactions energy: -151.405
where: short stacking energy: -80.185
Base-Backbone interact. energy: -0.782
local terms energy: -76.291751
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -214.742715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.742715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.742715 (E_RNA)
where:
Base-Base interactions energy: -137.817
where: short stacking energy: -71.438
Base-Backbone interact. energy: -0.090
local terms energy: -76.835578
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -212.063468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.063468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.063468 (E_RNA)
where:
Base-Base interactions energy: -137.652
where: short stacking energy: -69.856
Base-Backbone interact. energy: -0.030
local terms energy: -74.382166
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -11.950
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: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -184.490592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.490592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.490592 (E_RNA)
where:
Base-Base interactions energy: -123.548
where: short stacking energy: -68.508
Base-Backbone interact. energy: -0.008
local terms energy: -60.933795
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -12.605
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: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -194.587653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.587653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.587653 (E_RNA)
where:
Base-Base interactions energy: -128.478
where: short stacking energy: -65.216
Base-Backbone interact. energy: -0.316
local terms energy: -65.793528
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -194.484261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.484261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.484261 (E_RNA)
where:
Base-Base interactions energy: -130.139
where: short stacking energy: -60.344
Base-Backbone interact. energy: 0.377
local terms energy: -64.722146
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -11.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -162.646878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.646878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.646878 (E_RNA)
where:
Base-Base interactions energy: -107.675
where: short stacking energy: -55.614
Base-Backbone interact. energy: 0.526
local terms energy: -55.497732
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -11.780
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: 194
Temperature: 1.300000
Total energy: -87.404420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.404420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.404420 (E_RNA)
where:
Base-Base interactions energy: -40.953
where: short stacking energy: -40.953
Base-Backbone interact. energy: -0.012
local terms energy: -46.439386
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -8.161
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -7.268
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: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -91.962123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.962123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.962123 (E_RNA)
where:
Base-Base interactions energy: -39.701
where: short stacking energy: -39.701
Base-Backbone interact. energy: -0.003
local terms energy: -52.257804
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -8.763
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: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -236.359443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.359443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.359443 (E_RNA)
where:
Base-Base interactions energy: -152.309
where: short stacking energy: -81.038
Base-Backbone interact. energy: 0.603
local terms energy: -84.653936
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -215.156690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.156690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.156690 (E_RNA)
where:
Base-Base interactions energy: -139.668
where: short stacking energy: -69.276
Base-Backbone interact. energy: -0.094
local terms energy: -75.394328
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -213.373293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.373293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.373293 (E_RNA)
where:
Base-Base interactions energy: -137.200
where: short stacking energy: -65.213
Base-Backbone interact. energy: -0.001
local terms energy: -76.172673
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -11.008
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: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -205.263672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.263672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.263672 (E_RNA)
where:
Base-Base interactions energy: -136.904
where: short stacking energy: -63.870
Base-Backbone interact. energy: -0.075
local terms energy: -68.284639
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -184.239433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.239433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.239433 (E_RNA)
where:
Base-Base interactions energy: -118.012
where: short stacking energy: -62.763
Base-Backbone interact. energy: -0.025
local terms energy: -66.202209
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -15.671
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: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -189.412893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.412893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.412893 (E_RNA)
where:
Base-Base interactions energy: -128.014
where: short stacking energy: -62.900
Base-Backbone interact. energy: -0.056
local terms energy: -61.343591
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -12.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -166.294359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.294359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.294359 (E_RNA)
where:
Base-Base interactions energy: -108.422
where: short stacking energy: -58.382
Base-Backbone interact. energy: -0.153
local terms energy: -57.719895
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -157.702437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.702437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.702437 (E_RNA)
where:
Base-Base interactions energy: -98.363
where: short stacking energy: -54.758
Base-Backbone interact. energy: -0.215
local terms energy: -59.123960
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -85.800728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.800728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.800728 (E_RNA)
where:
Base-Base interactions energy: -41.613
where: short stacking energy: -35.383
Base-Backbone interact. energy: -0.823
local terms energy: -43.364336
where:
bonds (distance) C4'-P energy: -7.575
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -79.845152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.845152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.845152 (E_RNA)
where:
Base-Base interactions energy: -31.756
where: short stacking energy: -30.859
Base-Backbone interact. energy: -0.135
local terms energy: -47.954148
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -10.018
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: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -224.884404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.884404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.884404 (E_RNA)
where:
Base-Base interactions energy: -144.552
where: short stacking energy: -73.058
Base-Backbone interact. energy: -0.692
local terms energy: -79.640384
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -232.650303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.650303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.650303 (E_RNA)
where:
Base-Base interactions energy: -153.716
where: short stacking energy: -78.756
Base-Backbone interact. energy: -0.990
local terms energy: -77.943723
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -218.018100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.018100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.018100 (E_RNA)
where:
Base-Base interactions energy: -144.755
where: short stacking energy: -73.154
Base-Backbone interact. energy: -0.086
local terms energy: -73.177062
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -205.970928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.970928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.970928 (E_RNA)
where:
Base-Base interactions energy: -136.316
where: short stacking energy: -66.505
Base-Backbone interact. energy: -0.051
local terms energy: -69.603605
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -192.555180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.555180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.555180 (E_RNA)
where:
Base-Base interactions energy: -124.269
where: short stacking energy: -59.641
Base-Backbone interact. energy: 0.165
local terms energy: -68.451149
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -188.345388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.345388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.345388 (E_RNA)
where:
Base-Base interactions energy: -123.867
where: short stacking energy: -65.220
Base-Backbone interact. energy: -0.110
local terms energy: -64.368562
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -178.259961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.259961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.259961 (E_RNA)
where:
Base-Base interactions energy: -116.524
where: short stacking energy: -52.747
Base-Backbone interact. energy: -0.020
local terms energy: -61.715446
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -6.042
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: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -172.143326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.143326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.143326 (E_RNA)
where:
Base-Base interactions energy: -114.512
where: short stacking energy: -54.431
Base-Backbone interact. energy: -0.025
local terms energy: -57.605645
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -90.268895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.268895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.268895 (E_RNA)
where:
Base-Base interactions energy: -37.062
where: short stacking energy: -37.062
Base-Backbone interact. energy: -0.040
local terms energy: -53.167254
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -81.686464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.686464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.686464 (E_RNA)
where:
Base-Base interactions energy: -28.367
where: short stacking energy: -26.948
Base-Backbone interact. energy: -0.125
local terms energy: -53.194481
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -8.387
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: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -220.258877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.258877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.258877 (E_RNA)
where:
Base-Base interactions energy: -141.290
where: short stacking energy: -69.410
Base-Backbone interact. energy: -1.032
local terms energy: -77.936733
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -18.286
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: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -225.896183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.896183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.896183 (E_RNA)
where:
Base-Base interactions energy: -151.789
where: short stacking energy: -75.190
Base-Backbone interact. energy: -0.098
local terms energy: -74.008922
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -215.151433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.151433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.151433 (E_RNA)
where:
Base-Base interactions energy: -145.002
where: short stacking energy: -76.116
Base-Backbone interact. energy: -0.034
local terms energy: -70.115398
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -9.360
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -20.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -206.107289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.107289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.107289 (E_RNA)
where:
Base-Base interactions energy: -136.434
where: short stacking energy: -61.668
Base-Backbone interact. energy: -0.756
local terms energy: -68.917108
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -187.478882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.478882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.478882 (E_RNA)
where:
Base-Base interactions energy: -123.786
where: short stacking energy: -60.491
Base-Backbone interact. energy: -0.073
local terms energy: -63.619918
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -13.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -197.829860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.829860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.829860 (E_RNA)
where:
Base-Base interactions energy: -129.649
where: short stacking energy: -72.726
Base-Backbone interact. energy: -0.660
local terms energy: -67.520639
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -16.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -188.294525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.294525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.294525 (E_RNA)
where:
Base-Base interactions energy: -115.683
where: short stacking energy: -57.614
Base-Backbone interact. energy: -0.512
local terms energy: -72.099245
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -14.649
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: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -176.474660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.474660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.474660 (E_RNA)
where:
Base-Base interactions energy: -113.904
where: short stacking energy: -55.301
Base-Backbone interact. energy: -0.140
local terms energy: -62.430351
where:
bonds (distance) C4'-P energy: -8.082
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -13.027
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: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -89.534626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.534626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.534626 (E_RNA)
where:
Base-Base interactions energy: -41.000
where: short stacking energy: -40.711
Base-Backbone interact. energy: -0.002
local terms energy: -48.532876
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -6.112
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: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -90.807269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.807269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.807269 (E_RNA)
where:
Base-Base interactions energy: -38.436
where: short stacking energy: -29.802
Base-Backbone interact. energy: -0.009
local terms energy: -52.362647
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -235.705781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.705781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.705781 (E_RNA)
where:
Base-Base interactions energy: -160.990
where: short stacking energy: -82.108
Base-Backbone interact. energy: -0.002
local terms energy: -74.713605
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -12.525
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: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -221.667377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.667377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.667377 (E_RNA)
where:
Base-Base interactions energy: -148.334
where: short stacking energy: -74.524
Base-Backbone interact. energy: -0.006
local terms energy: -73.327297
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -204.394311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.394311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.394311 (E_RNA)
where:
Base-Base interactions energy: -133.359
where: short stacking energy: -74.235
Base-Backbone interact. energy: 0.859
local terms energy: -71.893425
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -10.438
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: 198
Temperature: 1.050000
Total energy: -206.148308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.148308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.148308 (E_RNA)
where:
Base-Base interactions energy: -133.703
where: short stacking energy: -62.427
Base-Backbone interact. energy: -0.044
local terms energy: -72.401857
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -19.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -199.078570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.078570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.078570 (E_RNA)
where:
Base-Base interactions energy: -133.281
where: short stacking energy: -56.523
Base-Backbone interact. energy: -0.157
local terms energy: -65.641037
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -193.940403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.940403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.940403 (E_RNA)
where:
Base-Base interactions energy: -124.070
where: short stacking energy: -61.116
Base-Backbone interact. energy: -1.206
local terms energy: -68.664015
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -171.634349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.634349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.634349 (E_RNA)
where:
Base-Base interactions energy: -105.569
where: short stacking energy: -52.383
Base-Backbone interact. energy: -0.204
local terms energy: -65.860507
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -171.493119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.493119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.493119 (E_RNA)
where:
Base-Base interactions energy: -107.269
where: short stacking energy: -51.050
Base-Backbone interact. energy: -0.670
local terms energy: -63.554344
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -82.984426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.984426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.984426 (E_RNA)
where:
Base-Base interactions energy: -24.845
where: short stacking energy: -24.845
Base-Backbone interact. energy: -0.235
local terms energy: -57.904143
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -12.441
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: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -100.928118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.928118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.928118 (E_RNA)
where:
Base-Base interactions energy: -43.506
where: short stacking energy: -43.506
Base-Backbone interact. energy: -0.058
local terms energy: -57.364655
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -11.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -231.424584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.424584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.424584 (E_RNA)
where:
Base-Base interactions energy: -153.613
where: short stacking energy: -81.773
Base-Backbone interact. energy: -0.642
local terms energy: -77.169765
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -12.786
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: 2, replica: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -216.989785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.989785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.989785 (E_RNA)
where:
Base-Base interactions energy: -143.998
where: short stacking energy: -67.007
Base-Backbone interact. energy: 0.289
local terms energy: -73.281117
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -200.331607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.331607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.331607 (E_RNA)
where:
Base-Base interactions energy: -124.467
where: short stacking energy: -70.410
Base-Backbone interact. energy: -0.000
local terms energy: -75.864008
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -214.645176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.645176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.645176 (E_RNA)
where:
Base-Base interactions energy: -140.845
where: short stacking energy: -72.192
Base-Backbone interact. energy: 1.449
local terms energy: -75.249131
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -188.090206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.090206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.090206 (E_RNA)
where:
Base-Base interactions energy: -125.979
where: short stacking energy: -61.533
Base-Backbone interact. energy: -0.093
local terms energy: -62.018077
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -10.546
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: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -181.493402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.493402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.493402 (E_RNA)
where:
Base-Base interactions energy: -121.546
where: short stacking energy: -54.100
Base-Backbone interact. energy: -0.028
local terms energy: -59.919218
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -9.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -176.834789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.834789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.834789 (E_RNA)
where:
Base-Base interactions energy: -112.981
where: short stacking energy: -62.776
Base-Backbone interact. energy: -0.179
local terms energy: -63.675281
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -167.375190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.375190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.375190 (E_RNA)
where:
Base-Base interactions energy: -109.009
where: short stacking energy: -62.441
Base-Backbone interact. energy: -0.425
local terms energy: -57.941627
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -12.714
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: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -102.220784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.220784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.220784 (E_RNA)
where:
Base-Base interactions energy: -52.233
where: short stacking energy: -32.183
Base-Backbone interact. energy: -0.355
local terms energy: -49.632759
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -8.105
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: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -95.107611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.107611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.107611 (E_RNA)
where:
Base-Base interactions energy: -38.583
where: short stacking energy: -38.583
Base-Backbone interact. energy: -0.085
local terms energy: -56.438911
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -245.224710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.224710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.224710 (E_RNA)
where:
Base-Base interactions energy: -163.391
where: short stacking energy: -81.403
Base-Backbone interact. energy: -1.084
local terms energy: -80.750272
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -222.609618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.609618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.609618 (E_RNA)
where:
Base-Base interactions energy: -142.484
where: short stacking energy: -70.386
Base-Backbone interact. energy: -0.081
local terms energy: -80.043874
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -224.597529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.597529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.597529 (E_RNA)
where:
Base-Base interactions energy: -147.020
where: short stacking energy: -77.868
Base-Backbone interact. energy: -0.037
local terms energy: -77.540527
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -197.097681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.097681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.097681 (E_RNA)
where:
Base-Base interactions energy: -127.410
where: short stacking energy: -59.324
Base-Backbone interact. energy: -0.080
local terms energy: -69.607558
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -184.313601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.313601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.313601 (E_RNA)
where:
Base-Base interactions energy: -116.982
where: short stacking energy: -61.603
Base-Backbone interact. energy: -0.317
local terms energy: -67.014936
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -8.945
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: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -177.949774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.949774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.949774 (E_RNA)
where:
Base-Base interactions energy: -112.960
where: short stacking energy: -59.010
Base-Backbone interact. energy: -0.049
local terms energy: -64.940133
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -13.338
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: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -191.432181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.432181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.432181 (E_RNA)
where:
Base-Base interactions energy: -121.259
where: short stacking energy: -61.989
Base-Backbone interact. energy: -0.106
local terms energy: -70.067537
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -7.493
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: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -171.444263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.444263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.444263 (E_RNA)
where:
Base-Base interactions energy: -102.631
where: short stacking energy: -54.929
Base-Backbone interact. energy: -0.480
local terms energy: -68.332905
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -9.234
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: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -116.918761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.918761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.918761 (E_RNA)
where:
Base-Base interactions energy: -67.774
where: short stacking energy: -46.738
Base-Backbone interact. energy: -0.162
local terms energy: -48.983521
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -7.562
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -83.113764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.113764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.113764 (E_RNA)
where:
Base-Base interactions energy: -33.428
where: short stacking energy: -30.928
Base-Backbone interact. energy: 0.213
local terms energy: -49.898239
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: 0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -241.677066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.677066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.677066 (E_RNA)
where:
Base-Base interactions energy: -159.186
where: short stacking energy: -83.664
Base-Backbone interact. energy: -0.578
local terms energy: -81.913860
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -218.026354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.026354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.026354 (E_RNA)
where:
Base-Base interactions energy: -147.740
where: short stacking energy: -71.061
Base-Backbone interact. energy: -0.733
local terms energy: -69.553715
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -227.826380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.826380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.826380 (E_RNA)
where:
Base-Base interactions energy: -151.379
where: short stacking energy: -74.030
Base-Backbone interact. energy: -1.483
local terms energy: -74.965097
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -20.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -191.957446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.957446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.957446 (E_RNA)
where:
Base-Base interactions energy: -121.826
where: short stacking energy: -61.754
Base-Backbone interact. energy: 0.245
local terms energy: -70.376819
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -12.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -192.325062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.325062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.325062 (E_RNA)
where:
Base-Base interactions energy: -123.755
where: short stacking energy: -68.244
Base-Backbone interact. energy: -0.068
local terms energy: -68.502218
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -8.856
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: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -221.787740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.787740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.787740 (E_RNA)
where:
Base-Base interactions energy: -148.295
where: short stacking energy: -79.034
Base-Backbone interact. energy: -0.001
local terms energy: -73.491976
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -20.756
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: 201
Temperature: 1.200000
Total energy: -183.864467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.864467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.864467 (E_RNA)
where:
Base-Base interactions energy: -120.555
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.183
local terms energy: -63.126466
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -9.511
flat angles P-C4'-P energy: -10.634
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: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -182.991279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.991279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.991279 (E_RNA)
where:
Base-Base interactions energy: -125.828
where: short stacking energy: -48.777
Base-Backbone interact. energy: -0.004
local terms energy: -57.159570
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -8.967
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -110.761180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.761180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.761180 (E_RNA)
where:
Base-Base interactions energy: -57.456
where: short stacking energy: -47.177
Base-Backbone interact. energy: -0.102
local terms energy: -53.203297
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -86.269593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.269593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.269593 (E_RNA)
where:
Base-Base interactions energy: -36.761
where: short stacking energy: -36.761
Base-Backbone interact. energy: -0.201
local terms energy: -49.308259
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -9.638
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -234.679002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.679002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.679002 (E_RNA)
where:
Base-Base interactions energy: -150.725
where: short stacking energy: -78.797
Base-Backbone interact. energy: -0.416
local terms energy: -83.537240
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -221.226165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.226165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.226165 (E_RNA)
where:
Base-Base interactions energy: -143.044
where: short stacking energy: -75.033
Base-Backbone interact. energy: -0.061
local terms energy: -78.121682
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -20.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -212.965460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.965460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.965460 (E_RNA)
where:
Base-Base interactions energy: -137.821
where: short stacking energy: -71.902
Base-Backbone interact. energy: -0.225
local terms energy: -74.919029
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -8.965
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: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -206.665912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.665912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.665912 (E_RNA)
where:
Base-Base interactions energy: -132.477
where: short stacking energy: -63.023
Base-Backbone interact. energy: -0.002
local terms energy: -74.186607
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -12.098
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: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -217.111212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.111212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.111212 (E_RNA)
where:
Base-Base interactions energy: -139.362
where: short stacking energy: -70.165
Base-Backbone interact. energy: -0.001
local terms energy: -77.748782
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -186.043624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.043624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.043624 (E_RNA)
where:
Base-Base interactions energy: -118.581
where: short stacking energy: -61.325
Base-Backbone interact. energy: 0.385
local terms energy: -67.847695
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -13.280
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: 202
Temperature: 1.200000
Total energy: -185.075361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.075361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.075361 (E_RNA)
where:
Base-Base interactions energy: -123.967
where: short stacking energy: -53.370
Base-Backbone interact. energy: -0.037
local terms energy: -61.071610
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -10.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -181.475022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.475022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.475022 (E_RNA)
where:
Base-Base interactions energy: -128.600
where: short stacking energy: -68.478
Base-Backbone interact. energy: -0.035
local terms energy: -52.840569
where:
bonds (distance) C4'-P energy: -7.398
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -13.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -89.271349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.271349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.271349 (E_RNA)
where:
Base-Base interactions energy: -37.304
where: short stacking energy: -36.179
Base-Backbone interact. energy: -0.222
local terms energy: -51.745277
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -7.820
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: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -86.002610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.002610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.002610 (E_RNA)
where:
Base-Base interactions energy: -33.347
where: short stacking energy: -33.347
Base-Backbone interact. energy: -0.128
local terms energy: -52.527081
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -233.248879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.248879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.248879 (E_RNA)
where:
Base-Base interactions energy: -154.185
where: short stacking energy: -77.409
Base-Backbone interact. energy: -0.244
local terms energy: -78.819609
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -21.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -226.874485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.874485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.874485 (E_RNA)
where:
Base-Base interactions energy: -150.902
where: short stacking energy: -81.634
Base-Backbone interact. energy: 0.536
local terms energy: -76.508612
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -218.027472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.027472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.027472 (E_RNA)
where:
Base-Base interactions energy: -141.723
where: short stacking energy: -70.654
Base-Backbone interact. energy: -0.358
local terms energy: -75.946411
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -19.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -224.882873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.882873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.882873 (E_RNA)
where:
Base-Base interactions energy: -146.458
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.251
local terms energy: -78.174279
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -14.266
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: 5, replica: 9
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -200.044616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.044616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.044616 (E_RNA)
where:
Base-Base interactions energy: -128.147
where: short stacking energy: -67.133
Base-Backbone interact. energy: -0.355
local terms energy: -71.543160
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -178.786136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.786136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.786136 (E_RNA)
where:
Base-Base interactions energy: -113.791
where: short stacking energy: -61.979
Base-Backbone interact. energy: -0.047
local terms energy: -64.948188
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -178.829329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.829329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.829329 (E_RNA)
where:
Base-Base interactions energy: -115.320
where: short stacking energy: -60.143
Base-Backbone interact. energy: 0.325
local terms energy: -63.834853
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -16.991
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: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -169.517844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.517844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.517844 (E_RNA)
where:
Base-Base interactions energy: -103.620
where: short stacking energy: -52.865
Base-Backbone interact. energy: -0.021
local terms energy: -65.876876
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -85.187660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.187660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.187660 (E_RNA)
where:
Base-Base interactions energy: -43.337
where: short stacking energy: -34.499
Base-Backbone interact. energy: 0.807
local terms energy: -42.657828
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -4.301
tors. eta vs tors. theta energy: -0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -87.720179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.720179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.720179 (E_RNA)
where:
Base-Base interactions energy: -40.634
where: short stacking energy: -40.634
Base-Backbone interact. energy: 0.705
local terms energy: -47.791320
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -2.200
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -234.318172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.318172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.318172 (E_RNA)
where:
Base-Base interactions energy: -153.261
where: short stacking energy: -81.573
Base-Backbone interact. energy: -0.008
local terms energy: -81.049041
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -12.147
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: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -233.719669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.719669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.719669 (E_RNA)
where:
Base-Base interactions energy: -155.803
where: short stacking energy: -73.249
Base-Backbone interact. energy: -0.616
local terms energy: -77.300499
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -227.559093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.559093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.559093 (E_RNA)
where:
Base-Base interactions energy: -153.127
where: short stacking energy: -73.393
Base-Backbone interact. energy: -0.001
local terms energy: -74.430791
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -204.239628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.239628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.239628 (E_RNA)
where:
Base-Base interactions energy: -134.595
where: short stacking energy: -62.043
Base-Backbone interact. energy: -0.821
local terms energy: -68.823557
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -184.064329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.064329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.064329 (E_RNA)
where:
Base-Base interactions energy: -117.586
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.016
local terms energy: -66.463063
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -13.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -183.973832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.973832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.973832 (E_RNA)
where:
Base-Base interactions energy: -119.112
where: short stacking energy: -66.097
Base-Backbone interact. energy: -0.221
local terms energy: -64.640425
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -3.712
tors. eta vs tors. theta energy: -17.749
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: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -176.153660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.153660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.153660 (E_RNA)
where:
Base-Base interactions energy: -118.083
where: short stacking energy: -62.218
Base-Backbone interact. energy: 0.683
local terms energy: -58.753633
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -180.719125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.719125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.719125 (E_RNA)
where:
Base-Base interactions energy: -118.950
where: short stacking energy: -54.795
Base-Backbone interact. energy: -0.393
local terms energy: -61.376037
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -6.887
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -13.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -108.640132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.640132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.640132 (E_RNA)
where:
Base-Base interactions energy: -58.622
where: short stacking energy: -41.021
Base-Backbone interact. energy: 0.773
local terms energy: -50.791382
where:
bonds (distance) C4'-P energy: -8.293
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -77.583406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.583406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.583406 (E_RNA)
where:
Base-Base interactions energy: -31.397
where: short stacking energy: -31.397
Base-Backbone interact. energy: -0.136
local terms energy: -46.049966
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -7.618
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -230.969033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.969033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.969033 (E_RNA)
where:
Base-Base interactions energy: -154.346
where: short stacking energy: -78.727
Base-Backbone interact. energy: -0.010
local terms energy: -76.613496
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -19.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -225.256018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.256018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.256018 (E_RNA)
where:
Base-Base interactions energy: -157.291
where: short stacking energy: -67.972
Base-Backbone interact. energy: -0.558
local terms energy: -67.406650
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -18.071
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: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -228.483425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.483425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.483425 (E_RNA)
where:
Base-Base interactions energy: -156.566
where: short stacking energy: -76.199
Base-Backbone interact. energy: -0.067
local terms energy: -71.850032
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -17.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -201.066473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.066473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.066473 (E_RNA)
where:
Base-Base interactions energy: -130.941
where: short stacking energy: -59.116
Base-Backbone interact. energy: -0.102
local terms energy: -70.023619
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -203.065072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.065072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.065072 (E_RNA)
where:
Base-Base interactions energy: -133.194
where: short stacking energy: -70.041
Base-Backbone interact. energy: -0.164
local terms energy: -69.707568
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -16.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -169.112730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.112730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.112730 (E_RNA)
where:
Base-Base interactions energy: -105.756
where: short stacking energy: -53.144
Base-Backbone interact. energy: -0.110
local terms energy: -63.246554
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -180.172999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.172999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.172999 (E_RNA)
where:
Base-Base interactions energy: -110.111
where: short stacking energy: -61.870
Base-Backbone interact. energy: -0.397
local terms energy: -69.664234
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -12.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -175.015676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.015676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.015676 (E_RNA)
where:
Base-Base interactions energy: -113.069
where: short stacking energy: -55.850
Base-Backbone interact. energy: -0.274
local terms energy: -61.672573
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -7.596
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: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -114.757085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.757085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.757085 (E_RNA)
where:
Base-Base interactions energy: -66.404
where: short stacking energy: -37.643
Base-Backbone interact. energy: -0.086
local terms energy: -48.267707
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -91.826031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.826031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.826031 (E_RNA)
where:
Base-Base interactions energy: -41.549
where: short stacking energy: -41.549
Base-Backbone interact. energy: -0.062
local terms energy: -50.214816
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -5.134
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -233.979800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.979800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.979800 (E_RNA)
where:
Base-Base interactions energy: -159.390
where: short stacking energy: -69.734
Base-Backbone interact. energy: -1.149
local terms energy: -73.440720
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -19.832
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: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -226.946408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.946408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.946408 (E_RNA)
where:
Base-Base interactions energy: -151.078
where: short stacking energy: -77.677
Base-Backbone interact. energy: -0.001
local terms energy: -75.866539
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -22.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -229.525686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.525686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.525686 (E_RNA)
where:
Base-Base interactions energy: -152.782
where: short stacking energy: -82.581
Base-Backbone interact. energy: -0.013
local terms energy: -76.730918
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -20.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -218.917419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.917419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.917419 (E_RNA)
where:
Base-Base interactions energy: -149.979
where: short stacking energy: -77.602
Base-Backbone interact. energy: -0.297
local terms energy: -68.641276
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -183.069388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.069388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.069388 (E_RNA)
where:
Base-Base interactions energy: -116.223
where: short stacking energy: -60.779
Base-Backbone interact. energy: -0.265
local terms energy: -66.581801
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -12.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -198.028930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.028930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.028930 (E_RNA)
where:
Base-Base interactions energy: -131.504
where: short stacking energy: -64.686
Base-Backbone interact. energy: -0.216
local terms energy: -66.308740
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -196.878324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.878324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.878324 (E_RNA)
where:
Base-Base interactions energy: -126.677
where: short stacking energy: -68.066
Base-Backbone interact. energy: -0.030
local terms energy: -70.171020
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -9.902
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -176.737695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.737695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.737695 (E_RNA)
where:
Base-Base interactions energy: -119.504
where: short stacking energy: -57.139
Base-Backbone interact. energy: -0.370
local terms energy: -56.863856
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -4.955
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -112.503568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.503568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.503568 (E_RNA)
where:
Base-Base interactions energy: -65.063
where: short stacking energy: -39.456
Base-Backbone interact. energy: 3.380
local terms energy: -50.821252
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -7.074
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -89.701442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.701442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.701442 (E_RNA)
where:
Base-Base interactions energy: -34.734
where: short stacking energy: -34.734
Base-Backbone interact. energy: -0.188
local terms energy: -54.779924
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -10.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -232.970027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.970027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.970027 (E_RNA)
where:
Base-Base interactions energy: -153.085
where: short stacking energy: -81.245
Base-Backbone interact. energy: -0.950
local terms energy: -78.934514
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -239.613199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.613199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.613199 (E_RNA)
where:
Base-Base interactions energy: -154.697
where: short stacking energy: -81.894
Base-Backbone interact. energy: -0.673
local terms energy: -84.243116
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -22.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -225.390704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.390704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.390704 (E_RNA)
where:
Base-Base interactions energy: -151.852
where: short stacking energy: -83.263
Base-Backbone interact. energy: -0.049
local terms energy: -73.489132
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -223.696181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.696181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.696181 (E_RNA)
where:
Base-Base interactions energy: -152.654
where: short stacking energy: -70.025
Base-Backbone interact. energy: -0.070
local terms energy: -70.972223
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -18.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -184.243503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.243503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.243503 (E_RNA)
where:
Base-Base interactions energy: -112.605
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.944
local terms energy: -70.693743
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -179.284675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.284675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.284675 (E_RNA)
where:
Base-Base interactions energy: -110.660
where: short stacking energy: -60.377
Base-Backbone interact. energy: -0.011
local terms energy: -68.613403
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -176.499601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.499601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.499601 (E_RNA)
where:
Base-Base interactions energy: -108.749
where: short stacking energy: -57.806
Base-Backbone interact. energy: -0.097
local terms energy: -67.654163
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -15.374
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: 8, replica: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -173.305272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.305272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.305272 (E_RNA)
where:
Base-Base interactions energy: -106.884
where: short stacking energy: -57.090
Base-Backbone interact. energy: -1.131
local terms energy: -65.290104
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -106.268590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.268590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.268590 (E_RNA)
where:
Base-Base interactions energy: -51.454
where: short stacking energy: -48.172
Base-Backbone interact. energy: -0.149
local terms energy: -54.665948
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -9.253
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: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -84.576248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.576248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.576248 (E_RNA)
where:
Base-Base interactions energy: -38.974
where: short stacking energy: -35.121
Base-Backbone interact. energy: -0.009
local terms energy: -45.593489
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -7.937
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -5.355
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: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -235.756682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.756682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.756682 (E_RNA)
where:
Base-Base interactions energy: -158.453
where: short stacking energy: -78.379
Base-Backbone interact. energy: -0.039
local terms energy: -77.264326
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -20.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -234.221989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.221989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.221989 (E_RNA)
where:
Base-Base interactions energy: -153.864
where: short stacking energy: -76.370
Base-Backbone interact. energy: -0.194
local terms energy: -80.163800
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -222.358789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.358789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.358789 (E_RNA)
where:
Base-Base interactions energy: -151.612
where: short stacking energy: -82.540
Base-Backbone interact. energy: -0.254
local terms energy: -70.492656
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -8.794
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: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -213.288366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.288366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.288366 (E_RNA)
where:
Base-Base interactions energy: -138.994
where: short stacking energy: -68.020
Base-Backbone interact. energy: -0.085
local terms energy: -74.209271
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -22.187
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: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -194.309040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.309040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.309040 (E_RNA)
where:
Base-Base interactions energy: -126.745
where: short stacking energy: -65.732
Base-Backbone interact. energy: -0.188
local terms energy: -67.376081
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -16.479
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: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -177.402603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.402603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.402603 (E_RNA)
where:
Base-Base interactions energy: -116.325
where: short stacking energy: -62.543
Base-Backbone interact. energy: -0.004
local terms energy: -61.073143
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -9.902
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: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -173.596523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.596523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.596523 (E_RNA)
where:
Base-Base interactions energy: -112.612
where: short stacking energy: -59.236
Base-Backbone interact. energy: -0.007
local terms energy: -60.977990
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -12.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -172.294307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.294307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.294307 (E_RNA)
where:
Base-Base interactions energy: -113.989
where: short stacking energy: -50.403
Base-Backbone interact. energy: -1.239
local terms energy: -57.066348
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -8.909
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: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -91.847777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.847777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.847777 (E_RNA)
where:
Base-Base interactions energy: -36.387
where: short stacking energy: -34.661
Base-Backbone interact. energy: -0.204
local terms energy: -55.256724
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -130.809711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.809711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.809711 (E_RNA)
where:
Base-Base interactions energy: -75.344
where: short stacking energy: -41.952
Base-Backbone interact. energy: -0.551
local terms energy: -54.915494
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -7.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -237.078767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.078767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.078767 (E_RNA)
where:
Base-Base interactions energy: -156.405
where: short stacking energy: -81.184
Base-Backbone interact. energy: -0.236
local terms energy: -80.438129
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -223.935582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.935582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.935582 (E_RNA)
where:
Base-Base interactions energy: -147.180
where: short stacking energy: -72.487
Base-Backbone interact. energy: -0.050
local terms energy: -76.705276
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -230.234100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.234100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.234100 (E_RNA)
where:
Base-Base interactions energy: -156.963
where: short stacking energy: -78.101
Base-Backbone interact. energy: -0.001
local terms energy: -73.270174
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -212.243308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.243308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.243308 (E_RNA)
where:
Base-Base interactions energy: -139.238
where: short stacking energy: -72.295
Base-Backbone interact. energy: 1.425
local terms energy: -74.430272
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -202.314728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.314728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.314728 (E_RNA)
where:
Base-Base interactions energy: -136.040
where: short stacking energy: -57.974
Base-Backbone interact. energy: -0.039
local terms energy: -66.235502
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -179.525150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.525150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.525150 (E_RNA)
where:
Base-Base interactions energy: -112.765
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.044
local terms energy: -66.716846
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -171.530517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.530517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.530517 (E_RNA)
where:
Base-Base interactions energy: -112.693
where: short stacking energy: -56.660
Base-Backbone interact. energy: -1.176
local terms energy: -57.661910
where:
bonds (distance) C4'-P energy: -5.773
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -177.820344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.820344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.820344 (E_RNA)
where:
Base-Base interactions energy: -111.729
where: short stacking energy: -53.182
Base-Backbone interact. energy: -0.354
local terms energy: -65.737442
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -12.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -95.704024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.704024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.704024 (E_RNA)
where:
Base-Base interactions energy: -42.128
where: short stacking energy: -42.128
Base-Backbone interact. energy: -0.252
local terms energy: -53.324380
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -155.440771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.440771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.440771 (E_RNA)
where:
Base-Base interactions energy: -98.723
where: short stacking energy: -42.604
Base-Backbone interact. energy: -0.050
local terms energy: -56.668153
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -7.768
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: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -222.432020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.432020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.432020 (E_RNA)
where:
Base-Base interactions energy: -145.244
where: short stacking energy: -77.491
Base-Backbone interact. energy: -0.002
local terms energy: -77.185927
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -238.928808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.928808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.928808 (E_RNA)
where:
Base-Base interactions energy: -158.846
where: short stacking energy: -84.039
Base-Backbone interact. energy: -0.240
local terms energy: -79.842683
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -22.436
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: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -211.494925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.494925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.494925 (E_RNA)
where:
Base-Base interactions energy: -136.161
where: short stacking energy: -60.242
Base-Backbone interact. energy: -0.341
local terms energy: -74.992867
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -230.880201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.880201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.880201 (E_RNA)
where:
Base-Base interactions energy: -154.487
where: short stacking energy: -79.446
Base-Backbone interact. energy: -0.306
local terms energy: -76.087231
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -204.915683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.915683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.915683 (E_RNA)
where:
Base-Base interactions energy: -135.593
where: short stacking energy: -66.124
Base-Backbone interact. energy: -0.003
local terms energy: -69.320446
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -18.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -178.488072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.488072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.488072 (E_RNA)
where:
Base-Base interactions energy: -115.980
where: short stacking energy: -64.053
Base-Backbone interact. energy: -0.299
local terms energy: -62.209478
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -181.730221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.730221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.730221 (E_RNA)
where:
Base-Base interactions energy: -119.211
where: short stacking energy: -48.403
Base-Backbone interact. energy: -0.387
local terms energy: -62.132540
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -166.614575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.614575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.614575 (E_RNA)
where:
Base-Base interactions energy: -107.053
where: short stacking energy: -47.981
Base-Backbone interact. energy: -0.073
local terms energy: -59.488667
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -9.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -165.764537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.764537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.764537 (E_RNA)
where:
Base-Base interactions energy: -103.593
where: short stacking energy: -49.162
Base-Backbone interact. energy: -0.043
local terms energy: -62.128543
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -10.471
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: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -84.396415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.396415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.396415 (E_RNA)
where:
Base-Base interactions energy: -43.919
where: short stacking energy: -26.914
Base-Backbone interact. energy: -0.134
local terms energy: -40.342681
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -8.641
flat angles P-C4'-P energy: -4.406
tors. eta vs tors. theta energy: -0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -225.170167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.170167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.170167 (E_RNA)
where:
Base-Base interactions energy: -147.595
where: short stacking energy: -77.816
Base-Backbone interact. energy: -0.166
local terms energy: -77.408977
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -218.425945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.425945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.425945 (E_RNA)
where:
Base-Base interactions energy: -141.600
where: short stacking energy: -65.908
Base-Backbone interact. energy: -0.088
local terms energy: -76.737597
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -16.185
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: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -227.378779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.378779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.378779 (E_RNA)
where:
Base-Base interactions energy: -149.392
where: short stacking energy: -74.312
Base-Backbone interact. energy: -0.000
local terms energy: -77.986318
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -13.204
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: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -227.599192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.599192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.599192 (E_RNA)
where:
Base-Base interactions energy: -151.361
where: short stacking energy: -74.946
Base-Backbone interact. energy: -0.043
local terms energy: -76.194501
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -18.392
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: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -192.058115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.058115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.058115 (E_RNA)
where:
Base-Base interactions energy: -129.337
where: short stacking energy: -63.611
Base-Backbone interact. energy: 0.516
local terms energy: -63.236955
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -15.154
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: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -198.454825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.454825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.454825 (E_RNA)
where:
Base-Base interactions energy: -130.104
where: short stacking energy: -66.870
Base-Backbone interact. energy: -0.139
local terms energy: -68.211286
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -16.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -171.452915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.452915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.452915 (E_RNA)
where:
Base-Base interactions energy: -113.551
where: short stacking energy: -57.005
Base-Backbone interact. energy: -0.104
local terms energy: -57.798397
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -2.686
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: 211
Temperature: 1.250000
Total energy: -176.172370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.172370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.172370 (E_RNA)
where:
Base-Base interactions energy: -111.536
where: short stacking energy: -57.491
Base-Backbone interact. energy: 0.217
local terms energy: -64.853717
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -10.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -156.614971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.614971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.614971 (E_RNA)
where:
Base-Base interactions energy: -100.429
where: short stacking energy: -42.866
Base-Backbone interact. energy: -0.356
local terms energy: -55.829175
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -8.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -82.551159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.551159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.551159 (E_RNA)
where:
Base-Base interactions energy: -33.048
where: short stacking energy: -31.030
Base-Backbone interact. energy: 0.483
local terms energy: -49.986391
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -0.346
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: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -225.719352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.719352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.719352 (E_RNA)
where:
Base-Base interactions energy: -148.408
where: short stacking energy: -68.723
Base-Backbone interact. energy: 0.956
local terms energy: -78.267178
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -20.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -223.803205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.803205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.803205 (E_RNA)
where:
Base-Base interactions energy: -148.953
where: short stacking energy: -72.364
Base-Backbone interact. energy: -0.158
local terms energy: -74.692264
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -11.325
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: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -227.772591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.772591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.772591 (E_RNA)
where:
Base-Base interactions energy: -153.053
where: short stacking energy: -80.127
Base-Backbone interact. energy: -0.087
local terms energy: -74.632700
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -19.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -220.177412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.177412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.177412 (E_RNA)
where:
Base-Base interactions energy: -146.720
where: short stacking energy: -71.473
Base-Backbone interact. energy: -0.212
local terms energy: -73.244921
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -199.813691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.813691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.813691 (E_RNA)
where:
Base-Base interactions energy: -126.310
where: short stacking energy: -62.368
Base-Backbone interact. energy: -0.620
local terms energy: -72.884138
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -16.175
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: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -182.795882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.795882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.795882 (E_RNA)
where:
Base-Base interactions energy: -122.038
where: short stacking energy: -58.381
Base-Backbone interact. energy: -0.196
local terms energy: -60.561990
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -10.646
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: 2
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -166.414658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.414658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.414658 (E_RNA)
where:
Base-Base interactions energy: -108.544
where: short stacking energy: -54.788
Base-Backbone interact. energy: -0.070
local terms energy: -57.800054
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -12.901
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: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -160.287549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.287549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.287549 (E_RNA)
where:
Base-Base interactions energy: -111.152
where: short stacking energy: -54.180
Base-Backbone interact. energy: 1.182
local terms energy: -50.317533
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -177.547822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.547822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.547822 (E_RNA)
where:
Base-Base interactions energy: -118.875
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.139
local terms energy: -58.534134
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -8.669
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -85.984997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.984997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.984997 (E_RNA)
where:
Base-Base interactions energy: -40.187
where: short stacking energy: -29.940
Base-Backbone interact. energy: -0.318
local terms energy: -45.479038
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -2.455
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -221.224325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.224325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.224325 (E_RNA)
where:
Base-Base interactions energy: -146.076
where: short stacking energy: -71.007
Base-Backbone interact. energy: -1.376
local terms energy: -73.772445
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -18.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -226.558701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.558701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.558701 (E_RNA)
where:
Base-Base interactions energy: -148.590
where: short stacking energy: -80.601
Base-Backbone interact. energy: -0.041
local terms energy: -77.927259
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -21.010
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: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -194.314954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.314954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.314954 (E_RNA)
where:
Base-Base interactions energy: -122.604
where: short stacking energy: -64.631
Base-Backbone interact. energy: -0.001
local terms energy: -71.710111
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -9.984
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: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -220.602013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.602013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.602013 (E_RNA)
where:
Base-Base interactions energy: -149.911
where: short stacking energy: -71.140
Base-Backbone interact. energy: -0.001
local terms energy: -70.689804
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -11.319
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: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -212.490350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.490350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.490350 (E_RNA)
where:
Base-Base interactions energy: -143.812
where: short stacking energy: -73.102
Base-Backbone interact. energy: -0.004
local terms energy: -68.674193
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -9.787
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: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -188.196635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.196635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.196635 (E_RNA)
where:
Base-Base interactions energy: -126.682
where: short stacking energy: -65.846
Base-Backbone interact. energy: -0.186
local terms energy: -61.329399
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -10.353
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -180.825456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.825456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.825456 (E_RNA)
where:
Base-Base interactions energy: -113.257
where: short stacking energy: -64.319
Base-Backbone interact. energy: -0.228
local terms energy: -67.340139
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -15.441
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: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -184.272481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.272481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.272481 (E_RNA)
where:
Base-Base interactions energy: -126.302
where: short stacking energy: -66.495
Base-Backbone interact. energy: -0.096
local terms energy: -57.875078
where:
bonds (distance) C4'-P energy: -7.173
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -15.907
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: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -183.730401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.730401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.730401 (E_RNA)
where:
Base-Base interactions energy: -122.652
where: short stacking energy: -56.187
Base-Backbone interact. energy: -0.160
local terms energy: -60.918137
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -83.542963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.542963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.542963 (E_RNA)
where:
Base-Base interactions energy: -34.802
where: short stacking energy: -33.424
Base-Backbone interact. energy: -0.893
local terms energy: -47.847761
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -4.718
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: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -234.449061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.449061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.449061 (E_RNA)
where:
Base-Base interactions energy: -148.974
where: short stacking energy: -71.941
Base-Backbone interact. energy: -0.003
local terms energy: -85.472471
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -22.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -215.924767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.924767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.924767 (E_RNA)
where:
Base-Base interactions energy: -144.518
where: short stacking energy: -72.895
Base-Backbone interact. energy: -0.037
local terms energy: -71.370033
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -11.071
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: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -225.247735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.247735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.247735 (E_RNA)
where:
Base-Base interactions energy: -149.976
where: short stacking energy: -75.788
Base-Backbone interact. energy: -0.298
local terms energy: -74.973921
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -195.297423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.297423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.297423 (E_RNA)
where:
Base-Base interactions energy: -123.732
where: short stacking energy: -58.423
Base-Backbone interact. energy: -0.089
local terms energy: -71.476213
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -13.798
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: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -216.630961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.630961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.630961 (E_RNA)
where:
Base-Base interactions energy: -143.976
where: short stacking energy: -68.279
Base-Backbone interact. energy: -0.099
local terms energy: -72.556324
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -5.242
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: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -197.897226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.897226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.897226 (E_RNA)
where:
Base-Base interactions energy: -132.685
where: short stacking energy: -77.254
Base-Backbone interact. energy: -0.101
local terms energy: -65.110957
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -195.758700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.758700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.758700 (E_RNA)
where:
Base-Base interactions energy: -121.620
where: short stacking energy: -69.275
Base-Backbone interact. energy: -0.024
local terms energy: -74.114696
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -170.233859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.233859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.233859 (E_RNA)
where:
Base-Base interactions energy: -107.222
where: short stacking energy: -47.810
Base-Backbone interact. energy: -0.740
local terms energy: -62.271611
where:
bonds (distance) C4'-P energy: -8.290
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -13.324
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: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -166.094000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.094000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.094000 (E_RNA)
where:
Base-Base interactions energy: -108.375
where: short stacking energy: -57.061
Base-Backbone interact. energy: -0.188
local terms energy: -57.531031
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -0.061
tors. eta vs tors. theta energy: -12.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -88.826532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.826532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.826532 (E_RNA)
where:
Base-Base interactions energy: -44.021
where: short stacking energy: -31.786
Base-Backbone interact. energy: -0.181
local terms energy: -44.625134
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -1.860
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: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -233.860350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.860350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.860350 (E_RNA)
where:
Base-Base interactions energy: -147.978
where: short stacking energy: -76.919
Base-Backbone interact. energy: -0.217
local terms energy: -85.665351
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -19.876
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: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -234.979090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.979090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.979090 (E_RNA)
where:
Base-Base interactions energy: -156.481
where: short stacking energy: -78.440
Base-Backbone interact. energy: -0.009
local terms energy: -78.489370
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -210.870666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.870666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.870666 (E_RNA)
where:
Base-Base interactions energy: -142.263
where: short stacking energy: -66.653
Base-Backbone interact. energy: -0.280
local terms energy: -68.327339
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -219.708912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.708912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.708912 (E_RNA)
where:
Base-Base interactions energy: -150.856
where: short stacking energy: -78.386
Base-Backbone interact. energy: -0.970
local terms energy: -67.883062
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -190.968091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.968091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.968091 (E_RNA)
where:
Base-Base interactions energy: -119.932
where: short stacking energy: -51.485
Base-Backbone interact. energy: -0.088
local terms energy: -70.948113
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -14.012
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: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -193.070041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.070041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.070041 (E_RNA)
where:
Base-Base interactions energy: -130.829
where: short stacking energy: -79.412
Base-Backbone interact. energy: -0.077
local terms energy: -62.164197
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -21.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -179.650002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.650002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.650002 (E_RNA)
where:
Base-Base interactions energy: -115.907
where: short stacking energy: -56.386
Base-Backbone interact. energy: -1.530
local terms energy: -62.213344
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -193.598082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.598082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.598082 (E_RNA)
where:
Base-Base interactions energy: -122.808
where: short stacking energy: -52.732
Base-Backbone interact. energy: 0.848
local terms energy: -71.637383
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -15.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -172.033047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.033047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.033047 (E_RNA)
where:
Base-Base interactions energy: -107.377
where: short stacking energy: -54.997
Base-Backbone interact. energy: -0.109
local terms energy: -64.546996
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -12.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -86.606384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.606384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.606384 (E_RNA)
where:
Base-Base interactions energy: -30.162
where: short stacking energy: -24.285
Base-Backbone interact. energy: 0.761
local terms energy: -57.205509
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -236.709405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.709405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.709405 (E_RNA)
where:
Base-Base interactions energy: -155.304
where: short stacking energy: -79.922
Base-Backbone interact. energy: -0.112
local terms energy: -81.293553
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -23.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -235.240694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.240694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.240694 (E_RNA)
where:
Base-Base interactions energy: -158.502
where: short stacking energy: -82.252
Base-Backbone interact. energy: -0.004
local terms energy: -76.735344
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -19.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -219.537066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.537066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.537066 (E_RNA)
where:
Base-Base interactions energy: -147.170
where: short stacking energy: -75.635
Base-Backbone interact. energy: -0.005
local terms energy: -72.362695
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -8.638
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -8.408
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: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -199.819161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.819161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.819161 (E_RNA)
where:
Base-Base interactions energy: -126.207
where: short stacking energy: -64.580
Base-Backbone interact. energy: -0.362
local terms energy: -73.250848
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -8.572
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: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -213.195923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.195923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.195923 (E_RNA)
where:
Base-Base interactions energy: -142.343
where: short stacking energy: -71.841
Base-Backbone interact. energy: 2.170
local terms energy: -73.022480
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -189.895965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.895965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.895965 (E_RNA)
where:
Base-Base interactions energy: -122.093
where: short stacking energy: -56.950
Base-Backbone interact. energy: 0.032
local terms energy: -67.835085
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -8.276
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -12.212
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: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -202.088397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.088397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.088397 (E_RNA)
where:
Base-Base interactions energy: -132.190
where: short stacking energy: -60.081
Base-Backbone interact. energy: -0.386
local terms energy: -69.513249
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -177.875793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.875793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.875793 (E_RNA)
where:
Base-Base interactions energy: -114.876
where: short stacking energy: -57.540
Base-Backbone interact. energy: -0.235
local terms energy: -62.764832
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -12.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -181.824653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.824653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.824653 (E_RNA)
where:
Base-Base interactions energy: -119.966
where: short stacking energy: -54.070
Base-Backbone interact. energy: -0.520
local terms energy: -61.338292
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -11.141
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: 216
Temperature: 1.350000
Total energy: -77.412463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.412463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.412463 (E_RNA)
where:
Base-Base interactions energy: -45.365
where: short stacking energy: -38.266
Base-Backbone interact. energy: -0.288
local terms energy: -31.759530
where:
bonds (distance) C4'-P energy: -4.021
bonds (distance) P-C4' energy: -7.031
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -224.547210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.547210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.547210 (E_RNA)
where:
Base-Base interactions energy: -146.944
where: short stacking energy: -71.261
Base-Backbone interact. energy: -0.698
local terms energy: -76.904876
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -225.886318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.886318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.886318 (E_RNA)
where:
Base-Base interactions energy: -149.722
where: short stacking energy: -74.222
Base-Backbone interact. energy: -0.069
local terms energy: -76.095951
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -230.441284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.441284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.441284 (E_RNA)
where:
Base-Base interactions energy: -148.121
where: short stacking energy: -77.924
Base-Backbone interact. energy: -0.828
local terms energy: -81.492717
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -21.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -199.050562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.050562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.050562 (E_RNA)
where:
Base-Base interactions energy: -127.940
where: short stacking energy: -65.326
Base-Backbone interact. energy: -0.811
local terms energy: -70.299249
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -11.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -197.099087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.099087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.099087 (E_RNA)
where:
Base-Base interactions energy: -128.182
where: short stacking energy: -71.251
Base-Backbone interact. energy: -1.016
local terms energy: -67.900808
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -18.440
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: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -195.070979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.070979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.070979 (E_RNA)
where:
Base-Base interactions energy: -124.471
where: short stacking energy: -54.104
Base-Backbone interact. energy: -0.103
local terms energy: -70.496535
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -186.443164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.443164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.443164 (E_RNA)
where:
Base-Base interactions energy: -117.612
where: short stacking energy: -64.491
Base-Backbone interact. energy: -0.091
local terms energy: -68.740639
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -14.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -170.120312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.120312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.120312 (E_RNA)
where:
Base-Base interactions energy: -104.704
where: short stacking energy: -50.701
Base-Backbone interact. energy: -0.314
local terms energy: -65.101571
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -162.354778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.354778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.354778 (E_RNA)
where:
Base-Base interactions energy: -101.446
where: short stacking energy: -45.164
Base-Backbone interact. energy: -0.141
local terms energy: -60.767984
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -9.415
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: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -79.742996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.742996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.742996 (E_RNA)
where:
Base-Base interactions energy: -33.845
where: short stacking energy: -33.845
Base-Backbone interact. energy: -0.064
local terms energy: -45.833592
where:
bonds (distance) C4'-P energy: -5.755
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -229.778180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.778180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.778180 (E_RNA)
where:
Base-Base interactions energy: -148.626
where: short stacking energy: -81.050
Base-Backbone interact. energy: -0.097
local terms energy: -81.055182
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -231.884656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.884656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.884656 (E_RNA)
where:
Base-Base interactions energy: -154.826
where: short stacking energy: -80.575
Base-Backbone interact. energy: -0.004
local terms energy: -77.054581
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -20.184
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: 218
Temperature: 1.000000
Total energy: -228.466991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.466991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.466991 (E_RNA)
where:
Base-Base interactions energy: -148.589
where: short stacking energy: -71.221
Base-Backbone interact. energy: -0.008
local terms energy: -79.870409
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -14.124
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: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -211.246240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.246240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.246240 (E_RNA)
where:
Base-Base interactions energy: -140.566
where: short stacking energy: -68.561
Base-Backbone interact. energy: -0.001
local terms energy: -70.678895
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -19.445
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: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -174.389595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.389595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.389595 (E_RNA)
where:
Base-Base interactions energy: -117.012
where: short stacking energy: -52.506
Base-Backbone interact. energy: -0.224
local terms energy: -57.153144
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -9.341
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: 6, replica: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -193.392152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.392152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.392152 (E_RNA)
where:
Base-Base interactions energy: -133.301
where: short stacking energy: -64.371
Base-Backbone interact. energy: -0.488
local terms energy: -59.602577
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -7.930
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -14.263
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: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -197.714847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.714847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.714847 (E_RNA)
where:
Base-Base interactions energy: -127.921
where: short stacking energy: -61.012
Base-Backbone interact. energy: -0.009
local terms energy: -69.785446
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -173.877842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.877842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.877842 (E_RNA)
where:
Base-Base interactions energy: -107.291
where: short stacking energy: -55.923
Base-Backbone interact. energy: -0.081
local terms energy: -66.504953
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -10.880
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: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -174.084835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.084835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.084835 (E_RNA)
where:
Base-Base interactions energy: -112.619
where: short stacking energy: -45.550
Base-Backbone interact. energy: -0.354
local terms energy: -61.111063
where:
bonds (distance) C4'-P energy: -7.830
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -10.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -80.073779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.073779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.073779 (E_RNA)
where:
Base-Base interactions energy: -32.931
where: short stacking energy: -25.789
Base-Backbone interact. energy: -0.149
local terms energy: -46.994264
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: 0.712
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: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -231.331029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.331029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.331029 (E_RNA)
where:
Base-Base interactions energy: -154.888
where: short stacking energy: -79.551
Base-Backbone interact. energy: -0.088
local terms energy: -76.355540
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -24.859
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: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -235.760953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.760953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.760953 (E_RNA)
where:
Base-Base interactions energy: -157.021
where: short stacking energy: -82.630
Base-Backbone interact. energy: -0.027
local terms energy: -78.713075
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -20.931
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: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -226.977980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.977980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.977980 (E_RNA)
where:
Base-Base interactions energy: -157.921
where: short stacking energy: -71.488
Base-Backbone interact. energy: -0.312
local terms energy: -68.745486
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -16.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -210.426968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.426968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.426968 (E_RNA)
where:
Base-Base interactions energy: -145.254
where: short stacking energy: -68.404
Base-Backbone interact. energy: -0.046
local terms energy: -65.126904
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -5.764
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: 219
Temperature: 1.100000
Total energy: -183.680472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.680472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.680472 (E_RNA)
where:
Base-Base interactions energy: -115.080
where: short stacking energy: -56.773
Base-Backbone interact. energy: -0.232
local terms energy: -68.368675
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -11.261
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: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -194.444578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.444578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.444578 (E_RNA)
where:
Base-Base interactions energy: -125.683
where: short stacking energy: -65.861
Base-Backbone interact. energy: -0.010
local terms energy: -68.751484
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -12.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -172.628942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.628942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.628942 (E_RNA)
where:
Base-Base interactions energy: -108.150
where: short stacking energy: -58.808
Base-Backbone interact. energy: -0.103
local terms energy: -64.375384
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -184.679886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.679886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.679886 (E_RNA)
where:
Base-Base interactions energy: -116.387
where: short stacking energy: -61.825
Base-Backbone interact. energy: -0.765
local terms energy: -67.528138
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -13.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -177.222990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.222990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.222990 (E_RNA)
where:
Base-Base interactions energy: -115.439
where: short stacking energy: -60.974
Base-Backbone interact. energy: 0.122
local terms energy: -61.906759
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -8.631
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -86.705827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.705827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.705827 (E_RNA)
where:
Base-Base interactions energy: -40.225
where: short stacking energy: -40.225
Base-Backbone interact. energy: -0.075
local terms energy: -46.406179
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -229.862579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.862579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.862579 (E_RNA)
where:
Base-Base interactions energy: -151.404
where: short stacking energy: -73.404
Base-Backbone interact. energy: -0.021
local terms energy: -78.437416
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -22.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -230.055437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.055437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.055437 (E_RNA)
where:
Base-Base interactions energy: -153.813
where: short stacking energy: -76.887
Base-Backbone interact. energy: -0.001
local terms energy: -76.241308
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -8.072
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: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -232.859735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.859735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.859735 (E_RNA)
where:
Base-Base interactions energy: -157.649
where: short stacking energy: -80.108
Base-Backbone interact. energy: -0.030
local terms energy: -75.180935
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -213.751366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.751366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.751366 (E_RNA)
where:
Base-Base interactions energy: -146.985
where: short stacking energy: -69.506
Base-Backbone interact. energy: -0.597
local terms energy: -66.168742
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -3.140
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: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -192.316839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.316839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.316839 (E_RNA)
where:
Base-Base interactions energy: -118.412
where: short stacking energy: -62.321
Base-Backbone interact. energy: -0.212
local terms energy: -73.693451
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -9.082
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: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -176.256702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.256702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.256702 (E_RNA)
where:
Base-Base interactions energy: -113.834
where: short stacking energy: -64.531
Base-Backbone interact. energy: -0.110
local terms energy: -62.313099
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -8.433
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: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -180.138636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.138636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.138636 (E_RNA)
where:
Base-Base interactions energy: -120.507
where: short stacking energy: -64.492
Base-Backbone interact. energy: -0.570
local terms energy: -59.061268
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -12.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -176.643246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.643246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.643246 (E_RNA)
where:
Base-Base interactions energy: -113.698
where: short stacking energy: -58.336
Base-Backbone interact. energy: -1.003
local terms energy: -61.941878
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -184.197157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.197157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.197157 (E_RNA)
where:
Base-Base interactions energy: -121.466
where: short stacking energy: -64.297
Base-Backbone interact. energy: -0.749
local terms energy: -61.982006
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -3.413
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -84.763626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.763626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.763626 (E_RNA)
where:
Base-Base interactions energy: -29.042
where: short stacking energy: -29.042
Base-Backbone interact. energy: -0.812
local terms energy: -54.909694
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -226.659395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.659395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.659395 (E_RNA)
where:
Base-Base interactions energy: -154.328
where: short stacking energy: -84.414
Base-Backbone interact. energy: 0.503
local terms energy: -72.834315
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -20.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -230.077096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.077096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.077096 (E_RNA)
where:
Base-Base interactions energy: -156.788
where: short stacking energy: -81.190
Base-Backbone interact. energy: -0.003
local terms energy: -73.285796
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -19.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -230.575201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.575201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.575201 (E_RNA)
where:
Base-Base interactions energy: -156.913
where: short stacking energy: -80.475
Base-Backbone interact. energy: -0.862
local terms energy: -72.800813
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -189.263335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.263335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.263335 (E_RNA)
where:
Base-Base interactions energy: -122.287
where: short stacking energy: -59.591
Base-Backbone interact. energy: -0.004
local terms energy: -66.971975
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -6.943
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: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -217.355623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.355623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.355623 (E_RNA)
where:
Base-Base interactions energy: -138.402
where: short stacking energy: -74.719
Base-Backbone interact. energy: -0.002
local terms energy: -78.952045
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -192.009807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.009807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.009807 (E_RNA)
where:
Base-Base interactions energy: -126.661
where: short stacking energy: -76.351
Base-Backbone interact. energy: -0.119
local terms energy: -65.229057
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -169.334389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.334389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.334389 (E_RNA)
where:
Base-Base interactions energy: -114.444
where: short stacking energy: -52.106
Base-Backbone interact. energy: -0.048
local terms energy: -54.841886
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: -13.273
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: 221
Temperature: 1.250000
Total energy: -164.458005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.458005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.458005 (E_RNA)
where:
Base-Base interactions energy: -103.104
where: short stacking energy: -51.436
Base-Backbone interact. energy: 0.678
local terms energy: -62.031448
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -13.735
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: 221
Temperature: 1.300000
Total energy: -161.999553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.999553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.999553 (E_RNA)
where:
Base-Base interactions energy: -111.426
where: short stacking energy: -58.592
Base-Backbone interact. energy: -0.098
local terms energy: -50.475170
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: 0.171
tors. eta vs tors. theta energy: -12.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -84.353916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.353916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.353916 (E_RNA)
where:
Base-Base interactions energy: -33.987
where: short stacking energy: -33.987
Base-Backbone interact. energy: -0.844
local terms energy: -49.522688
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -7.230
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -2.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -243.991698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.991698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.991698 (E_RNA)
where:
Base-Base interactions energy: -160.769
where: short stacking energy: -83.032
Base-Backbone interact. energy: -0.385
local terms energy: -82.837456
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -13.618
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: 2, replica: 7
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -220.269640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.269640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.269640 (E_RNA)
where:
Base-Base interactions energy: -142.320
where: short stacking energy: -73.027
Base-Backbone interact. energy: -0.001
local terms energy: -77.948572
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -22.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -227.469786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.469786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.469786 (E_RNA)
where:
Base-Base interactions energy: -149.057
where: short stacking energy: -77.670
Base-Backbone interact. energy: -0.256
local terms energy: -78.157106
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -9.553
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: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -189.898111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.898111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.898111 (E_RNA)
where:
Base-Base interactions energy: -120.984
where: short stacking energy: -68.530
Base-Backbone interact. energy: -0.453
local terms energy: -68.460515
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -200.753250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.753250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.753250 (E_RNA)
where:
Base-Base interactions energy: -134.846
where: short stacking energy: -67.954
Base-Backbone interact. energy: -0.610
local terms energy: -65.297162
where:
bonds (distance) C4'-P energy: -7.209
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -17.962
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: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -177.412900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.412900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.412900 (E_RNA)
where:
Base-Base interactions energy: -111.729
where: short stacking energy: -62.809
Base-Backbone interact. energy: -0.101
local terms energy: -65.582756
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -184.293364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.293364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.293364 (E_RNA)
where:
Base-Base interactions energy: -115.952
where: short stacking energy: -65.241
Base-Backbone interact. energy: -0.005
local terms energy: -68.335952
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -7.358
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: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -176.336582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.336582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.336582 (E_RNA)
where:
Base-Base interactions energy: -113.389
where: short stacking energy: -56.709
Base-Backbone interact. energy: -0.003
local terms energy: -62.944627
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -11.880
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: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -167.652754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.652754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.652754 (E_RNA)
where:
Base-Base interactions energy: -105.116
where: short stacking energy: -53.446
Base-Backbone interact. energy: -0.552
local terms energy: -61.984338
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -14.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -81.417196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.417196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.417196 (E_RNA)
where:
Base-Base interactions energy: -29.029
where: short stacking energy: -25.709
Base-Backbone interact. energy: -0.132
local terms energy: -52.256922
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: 2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -238.996083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.996083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.996083 (E_RNA)
where:
Base-Base interactions energy: -158.637
where: short stacking energy: -80.467
Base-Backbone interact. energy: -0.415
local terms energy: -79.943759
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -18.275
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: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -236.017573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.017573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.017573 (E_RNA)
where:
Base-Base interactions energy: -155.522
where: short stacking energy: -79.987
Base-Backbone interact. energy: -0.067
local terms energy: -80.428606
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -21.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -219.568260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.568260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.568260 (E_RNA)
where:
Base-Base interactions energy: -144.601
where: short stacking energy: -77.553
Base-Backbone interact. energy: -0.087
local terms energy: -74.880427
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -191.460944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.460944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.460944 (E_RNA)
where:
Base-Base interactions energy: -135.490
where: short stacking energy: -57.202
Base-Backbone interact. energy: -0.022
local terms energy: -55.948618
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -194.018040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.018040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.018040 (E_RNA)
where:
Base-Base interactions energy: -127.172
where: short stacking energy: -72.161
Base-Backbone interact. energy: -0.010
local terms energy: -66.835563
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -10.267
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: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -182.198926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.198926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.198926 (E_RNA)
where:
Base-Base interactions energy: -117.794
where: short stacking energy: -62.929
Base-Backbone interact. energy: -0.079
local terms energy: -64.325348
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -176.868929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.868929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.868929 (E_RNA)
where:
Base-Base interactions energy: -108.032
where: short stacking energy: -48.612
Base-Backbone interact. energy: 0.888
local terms energy: -69.724074
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -13.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -161.987947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.987947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.987947 (E_RNA)
where:
Base-Base interactions energy: -108.960
where: short stacking energy: -49.910
Base-Backbone interact. energy: -0.045
local terms energy: -52.983097
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -8.086
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -12.647
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: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -173.141758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.141758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.141758 (E_RNA)
where:
Base-Base interactions energy: -108.952
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.489
local terms energy: -63.701160
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -12.115
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: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -90.964115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.964115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.964115 (E_RNA)
where:
Base-Base interactions energy: -50.111
where: short stacking energy: -35.599
Base-Backbone interact. energy: -0.225
local terms energy: -40.628658
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -1.498
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -247.328997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.328997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.328997 (E_RNA)
where:
Base-Base interactions energy: -166.343
where: short stacking energy: -84.176
Base-Backbone interact. energy: -0.095
local terms energy: -80.891502
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -14.454
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: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -231.615000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.615000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.615000 (E_RNA)
where:
Base-Base interactions energy: -156.877
where: short stacking energy: -70.268
Base-Backbone interact. energy: -0.442
local terms energy: -74.296169
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -20.247
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: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -193.432884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.432884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.432884 (E_RNA)
where:
Base-Base interactions energy: -124.600
where: short stacking energy: -63.531
Base-Backbone interact. energy: -0.103
local terms energy: -68.730032
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -212.885785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.885785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.885785 (E_RNA)
where:
Base-Base interactions energy: -141.058
where: short stacking energy: -65.514
Base-Backbone interact. energy: -0.275
local terms energy: -71.552296
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -19.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -205.658583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.658583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.658583 (E_RNA)
where:
Base-Base interactions energy: -131.642
where: short stacking energy: -75.938
Base-Backbone interact. energy: -0.003
local terms energy: -74.014252
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -176.539575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.539575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.539575 (E_RNA)
where:
Base-Base interactions energy: -117.425
where: short stacking energy: -54.032
Base-Backbone interact. energy: -0.006
local terms energy: -59.108797
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -7.788
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: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -179.853269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.853269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.853269 (E_RNA)
where:
Base-Base interactions energy: -112.535
where: short stacking energy: -59.388
Base-Backbone interact. energy: 1.377
local terms energy: -68.695510
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -183.052028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.052028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.052028 (E_RNA)
where:
Base-Base interactions energy: -115.873
where: short stacking energy: -56.457
Base-Backbone interact. energy: 0.513
local terms energy: -67.691262
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -12.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -170.537837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.537837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.537837 (E_RNA)
where:
Base-Base interactions energy: -120.116
where: short stacking energy: -60.809
Base-Backbone interact. energy: -0.009
local terms energy: -50.412789
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -82.005025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.005025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.005025 (E_RNA)
where:
Base-Base interactions energy: -42.450
where: short stacking energy: -39.017
Base-Backbone interact. energy: -0.203
local terms energy: -39.351458
where:
bonds (distance) C4'-P energy: -8.614
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -6.012
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: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -238.558614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.558614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.558614 (E_RNA)
where:
Base-Base interactions energy: -162.485
where: short stacking energy: -84.966
Base-Backbone interact. energy: -0.163
local terms energy: -75.911370
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -12.178
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: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -234.376418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.376418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.376418 (E_RNA)
where:
Base-Base interactions energy: -155.666
where: short stacking energy: -78.790
Base-Backbone interact. energy: -0.124
local terms energy: -78.586349
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -200.032107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.032107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.032107 (E_RNA)
where:
Base-Base interactions energy: -123.791
where: short stacking energy: -67.268
Base-Backbone interact. energy: 0.244
local terms energy: -76.485563
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -207.347927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.347927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.347927 (E_RNA)
where:
Base-Base interactions energy: -132.447
where: short stacking energy: -71.580
Base-Backbone interact. energy: -1.473
local terms energy: -73.427822
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -17.648
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: 5, replica: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -199.088222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.088222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.088222 (E_RNA)
where:
Base-Base interactions energy: -126.114
where: short stacking energy: -67.443
Base-Backbone interact. energy: -0.756
local terms energy: -72.217939
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -191.159926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.159926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.159926 (E_RNA)
where:
Base-Base interactions energy: -119.431
where: short stacking energy: -63.044
Base-Backbone interact. energy: -0.093
local terms energy: -71.635443
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -177.736219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.736219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.736219 (E_RNA)
where:
Base-Base interactions energy: -116.257
where: short stacking energy: -66.227
Base-Backbone interact. energy: -1.383
local terms energy: -60.095998
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -12.993
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: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -178.689624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.689624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.689624 (E_RNA)
where:
Base-Base interactions energy: -119.416
where: short stacking energy: -64.265
Base-Backbone interact. energy: -0.138
local terms energy: -59.136161
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -8.863
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -171.714294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.714294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.714294 (E_RNA)
where:
Base-Base interactions energy: -111.157
where: short stacking energy: -55.742
Base-Backbone interact. energy: -0.161
local terms energy: -60.397059
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -10.270
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: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -81.059916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.059916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.059916 (E_RNA)
where:
Base-Base interactions energy: -31.082
where: short stacking energy: -31.082
Base-Backbone interact. energy: -0.028
local terms energy: -49.949755
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -5.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -236.912069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.912069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.912069 (E_RNA)
where:
Base-Base interactions energy: -156.206
where: short stacking energy: -80.861
Base-Backbone interact. energy: -0.422
local terms energy: -80.283971
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -20.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -237.670403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.670403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.670403 (E_RNA)
where:
Base-Base interactions energy: -157.818
where: short stacking energy: -83.763
Base-Backbone interact. energy: 0.642
local terms energy: -80.494162
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -19.806
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: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -220.459875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.459875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.459875 (E_RNA)
where:
Base-Base interactions energy: -145.964
where: short stacking energy: -77.316
Base-Backbone interact. energy: -0.257
local terms energy: -74.238804
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -195.177839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.177839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.177839 (E_RNA)
where:
Base-Base interactions energy: -130.334
where: short stacking energy: -66.230
Base-Backbone interact. energy: -0.373
local terms energy: -64.471184
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -189.064201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.064201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.064201 (E_RNA)
where:
Base-Base interactions energy: -120.386
where: short stacking energy: -66.013
Base-Backbone interact. energy: -0.001
local terms energy: -68.677440
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -9.146
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -199.560063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.560063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.560063 (E_RNA)
where:
Base-Base interactions energy: -124.324
where: short stacking energy: -59.932
Base-Backbone interact. energy: -0.268
local terms energy: -74.968445
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -169.877248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.877248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.877248 (E_RNA)
where:
Base-Base interactions energy: -108.048
where: short stacking energy: -41.337
Base-Backbone interact. energy: -1.531
local terms energy: -60.299064
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -10.625
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: 9
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -168.363153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.363153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.363153 (E_RNA)
where:
Base-Base interactions energy: -104.425
where: short stacking energy: -56.095
Base-Backbone interact. energy: -0.472
local terms energy: -63.465719
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -162.869071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.869071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.869071 (E_RNA)
where:
Base-Base interactions energy: -105.773
where: short stacking energy: -46.700
Base-Backbone interact. energy: -0.200
local terms energy: -56.896378
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -7.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -92.331000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.331000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.331000 (E_RNA)
where:
Base-Base interactions energy: -40.810
where: short stacking energy: -40.810
Base-Backbone interact. energy: -0.082
local terms energy: -51.438759
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -233.252166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.252166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.252166 (E_RNA)
where:
Base-Base interactions energy: -155.464
where: short stacking energy: -74.812
Base-Backbone interact. energy: -0.942
local terms energy: -76.846238
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -22.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -223.408885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.408885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.408885 (E_RNA)
where:
Base-Base interactions energy: -149.584
where: short stacking energy: -77.140
Base-Backbone interact. energy: -0.033
local terms energy: -73.792091
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -20.057
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: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -227.304698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.304698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.304698 (E_RNA)
where:
Base-Base interactions energy: -149.011
where: short stacking energy: -79.637
Base-Backbone interact. energy: -0.492
local terms energy: -77.801637
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -213.687445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.687445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.687445 (E_RNA)
where:
Base-Base interactions energy: -136.896
where: short stacking energy: -69.848
Base-Backbone interact. energy: -0.003
local terms energy: -76.788805
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -12.282
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: 227
Temperature: 1.100000
Total energy: -203.905986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.905986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.905986 (E_RNA)
where:
Base-Base interactions energy: -135.391
where: short stacking energy: -64.464
Base-Backbone interact. energy: -0.019
local terms energy: -68.496279
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -204.005018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.005018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.005018 (E_RNA)
where:
Base-Base interactions energy: -130.220
where: short stacking energy: -64.732
Base-Backbone interact. energy: -0.064
local terms energy: -73.721086
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -20.641
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: 7, replica: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -176.877584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.877584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.877584 (E_RNA)
where:
Base-Base interactions energy: -107.963
where: short stacking energy: -64.673
Base-Backbone interact. energy: 0.309
local terms energy: -69.223782
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -14.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -178.147793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.147793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.147793 (E_RNA)
where:
Base-Base interactions energy: -124.632
where: short stacking energy: -59.071
Base-Backbone interact. energy: -0.022
local terms energy: -53.493866
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -3.962
tors. eta vs tors. theta energy: -12.893
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: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -160.579962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.579962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.579962 (E_RNA)
where:
Base-Base interactions energy: -105.984
where: short stacking energy: -57.680
Base-Backbone interact. energy: 0.212
local terms energy: -54.808443
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -103.769767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.769767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.769767 (E_RNA)
where:
Base-Base interactions energy: -57.141
where: short stacking energy: -26.353
Base-Backbone interact. energy: 0.614
local terms energy: -47.242818
where:
bonds (distance) C4'-P energy: -9.437
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: 2.455
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: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -227.581693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.581693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.581693 (E_RNA)
where:
Base-Base interactions energy: -153.833
where: short stacking energy: -74.403
Base-Backbone interact. energy: -0.088
local terms energy: -73.660745
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -234.363572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.363572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.363572 (E_RNA)
where:
Base-Base interactions energy: -153.980
where: short stacking energy: -77.489
Base-Backbone interact. energy: -0.001
local terms energy: -80.382588
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -224.591684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.591684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.591684 (E_RNA)
where:
Base-Base interactions energy: -145.688
where: short stacking energy: -73.316
Base-Backbone interact. energy: -0.339
local terms energy: -78.564502
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -226.946491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.946491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.946491 (E_RNA)
where:
Base-Base interactions energy: -146.214
where: short stacking energy: -74.192
Base-Backbone interact. energy: 0.361
local terms energy: -81.094199
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -181.142476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.142476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.142476 (E_RNA)
where:
Base-Base interactions energy: -118.829
where: short stacking energy: -65.258
Base-Backbone interact. energy: -0.140
local terms energy: -62.172983
where:
bonds (distance) C4'-P energy: -8.033
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -16.012
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: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -194.113051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.113051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.113051 (E_RNA)
where:
Base-Base interactions energy: -123.536
where: short stacking energy: -60.680
Base-Backbone interact. energy: -0.166
local terms energy: -70.411842
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -178.570147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.570147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.570147 (E_RNA)
where:
Base-Base interactions energy: -119.549
where: short stacking energy: -51.707
Base-Backbone interact. energy: -0.064
local terms energy: -58.956551
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -174.932671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.932671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.932671 (E_RNA)
where:
Base-Base interactions energy: -113.541
where: short stacking energy: -64.609
Base-Backbone interact. energy: -0.184
local terms energy: -61.207205
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -159.539156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.539156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.539156 (E_RNA)
where:
Base-Base interactions energy: -105.991
where: short stacking energy: -51.887
Base-Backbone interact. energy: -0.149
local terms energy: -53.399208
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -82.015482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.015482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.015482 (E_RNA)
where:
Base-Base interactions energy: -33.850
where: short stacking energy: -33.850
Base-Backbone interact. energy: -0.261
local terms energy: -47.904499
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -224.912005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.912005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.912005 (E_RNA)
where:
Base-Base interactions energy: -151.439
where: short stacking energy: -70.905
Base-Backbone interact. energy: -0.304
local terms energy: -73.169726
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -226.821281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.821281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.821281 (E_RNA)
where:
Base-Base interactions energy: -146.133
where: short stacking energy: -71.713
Base-Backbone interact. energy: -0.001
local terms energy: -80.687289
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -22.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -227.246483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.246483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.246483 (E_RNA)
where:
Base-Base interactions energy: -142.486
where: short stacking energy: -73.102
Base-Backbone interact. energy: -0.291
local terms energy: -84.469605
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -21.516
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: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -223.586823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.586823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.586823 (E_RNA)
where:
Base-Base interactions energy: -150.139
where: short stacking energy: -72.730
Base-Backbone interact. energy: -0.359
local terms energy: -73.088610
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -186.363533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.363533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.363533 (E_RNA)
where:
Base-Base interactions energy: -125.083
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.171
local terms energy: -61.109485
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -10.814
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: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -176.277256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.277256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.277256 (E_RNA)
where:
Base-Base interactions energy: -115.063
where: short stacking energy: -56.010
Base-Backbone interact. energy: 0.926
local terms energy: -62.140786
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -180.255424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.255424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.255424 (E_RNA)
where:
Base-Base interactions energy: -124.255
where: short stacking energy: -49.282
Base-Backbone interact. energy: -0.176
local terms energy: -55.824607
where:
bonds (distance) C4'-P energy: -7.189
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -181.832380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.832380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.832380 (E_RNA)
where:
Base-Base interactions energy: -115.265
where: short stacking energy: -64.360
Base-Backbone interact. energy: -0.077
local terms energy: -66.490207
where:
bonds (distance) C4'-P energy: -9.070
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -154.495622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.495622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.495622 (E_RNA)
where:
Base-Base interactions energy: -106.236
where: short stacking energy: -48.156
Base-Backbone interact. energy: -0.055
local terms energy: -48.203772
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -90.872492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.872492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.872492 (E_RNA)
where:
Base-Base interactions energy: -42.254
where: short stacking energy: -36.428
Base-Backbone interact. energy: -0.083
local terms energy: -48.535375
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -7.971
flat angles P-C4'-P energy: -10.017
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: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -222.433744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.433744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.433744 (E_RNA)
where:
Base-Base interactions energy: -146.866
where: short stacking energy: -79.234
Base-Backbone interact. energy: -0.173
local terms energy: -75.393936
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -225.128834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.128834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.128834 (E_RNA)
where:
Base-Base interactions energy: -149.518
where: short stacking energy: -73.188
Base-Backbone interact. energy: 0.721
local terms energy: -76.331877
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -226.955542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.955542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.955542 (E_RNA)
where:
Base-Base interactions energy: -149.113
where: short stacking energy: -78.317
Base-Backbone interact. energy: -0.778
local terms energy: -77.064868
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -22.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -229.555884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.555884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.555884 (E_RNA)
where:
Base-Base interactions energy: -150.927
where: short stacking energy: -78.654
Base-Backbone interact. energy: -0.281
local terms energy: -78.347823
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -23.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -189.867131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.867131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.867131 (E_RNA)
where:
Base-Base interactions energy: -129.111
where: short stacking energy: -57.519
Base-Backbone interact. energy: 1.025
local terms energy: -61.780833
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -9.518
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: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -181.887642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.887642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.887642 (E_RNA)
where:
Base-Base interactions energy: -117.361
where: short stacking energy: -57.626
Base-Backbone interact. energy: -0.107
local terms energy: -64.419789
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -10.784
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: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -181.885564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.885564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.885564 (E_RNA)
where:
Base-Base interactions energy: -122.931
where: short stacking energy: -71.716
Base-Backbone interact. energy: -0.004
local terms energy: -58.950674
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -9.369
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -15.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -183.189130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.189130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.189130 (E_RNA)
where:
Base-Base interactions energy: -116.934
where: short stacking energy: -59.016
Base-Backbone interact. energy: 0.990
local terms energy: -67.245488
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -14.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -153.208886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.208886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.208886 (E_RNA)
where:
Base-Base interactions energy: -99.281
where: short stacking energy: -43.295
Base-Backbone interact. energy: -0.088
local terms energy: -53.839759
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -8.296
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -95.640410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.640410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.640410 (E_RNA)
where:
Base-Base interactions energy: -38.823
where: short stacking energy: -38.823
Base-Backbone interact. energy: -0.029
local terms energy: -56.788609
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -219.595396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.595396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.595396 (E_RNA)
where:
Base-Base interactions energy: -143.587
where: short stacking energy: -77.099
Base-Backbone interact. energy: -0.138
local terms energy: -75.870668
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -19.583
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: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -229.873219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.873219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.873219 (E_RNA)
where:
Base-Base interactions energy: -154.366
where: short stacking energy: -74.151
Base-Backbone interact. energy: -0.000
local terms energy: -75.506696
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -20.118
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: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -226.445028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.445028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.445028 (E_RNA)
where:
Base-Base interactions energy: -149.713
where: short stacking energy: -75.881
Base-Backbone interact. energy: -0.044
local terms energy: -76.687110
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -23.392
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: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -227.965888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.965888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.965888 (E_RNA)
where:
Base-Base interactions energy: -154.386
where: short stacking energy: -74.318
Base-Backbone interact. energy: -1.153
local terms energy: -72.426526
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -200.630873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.630873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.630873 (E_RNA)
where:
Base-Base interactions energy: -130.607
where: short stacking energy: -66.826
Base-Backbone interact. energy: -0.001
local terms energy: -70.022490
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -19.001
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: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -178.496966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.496966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.496966 (E_RNA)
where:
Base-Base interactions energy: -110.277
where: short stacking energy: -50.952
Base-Backbone interact. energy: -0.019
local terms energy: -68.200680
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -12.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -187.074179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.074179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.074179 (E_RNA)
where:
Base-Base interactions energy: -118.391
where: short stacking energy: -64.738
Base-Backbone interact. energy: -0.801
local terms energy: -67.882264
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -175.653436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.653436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.653436 (E_RNA)
where:
Base-Base interactions energy: -121.399
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.266
local terms energy: -53.988535
where:
bonds (distance) C4'-P energy: -7.002
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -165.435485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.435485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.435485 (E_RNA)
where:
Base-Base interactions energy: -100.235
where: short stacking energy: -48.173
Base-Backbone interact. energy: 0.110
local terms energy: -65.311116
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -10.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -96.017187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.017187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.017187 (E_RNA)
where:
Base-Base interactions energy: -56.288
where: short stacking energy: -29.085
Base-Backbone interact. energy: -0.108
local terms energy: -39.621459
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: 0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -234.445814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.445814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.445814 (E_RNA)
where:
Base-Base interactions energy: -152.606
where: short stacking energy: -75.885
Base-Backbone interact. energy: -0.294
local terms energy: -81.545652
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -23.143
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: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -215.894467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.894467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.894467 (E_RNA)
where:
Base-Base interactions energy: -143.512
where: short stacking energy: -71.857
Base-Backbone interact. energy: -0.274
local terms energy: -72.107940
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -17.624
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: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -217.851369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.851369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.851369 (E_RNA)
where:
Base-Base interactions energy: -143.339
where: short stacking energy: -72.329
Base-Backbone interact. energy: -0.656
local terms energy: -73.856240
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -6.534
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: 4, replica: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -226.085538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.085538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.085538 (E_RNA)
where:
Base-Base interactions energy: -148.425
where: short stacking energy: -77.818
Base-Backbone interact. energy: -0.954
local terms energy: -76.707054
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -212.290487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.290487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.290487 (E_RNA)
where:
Base-Base interactions energy: -146.689
where: short stacking energy: -73.050
Base-Backbone interact. energy: -0.032
local terms energy: -65.568995
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -4.791
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -163.906637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.906637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.906637 (E_RNA)
where:
Base-Base interactions energy: -104.233
where: short stacking energy: -52.247
Base-Backbone interact. energy: -0.773
local terms energy: -58.900716
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -8.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -197.096227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.096227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.096227 (E_RNA)
where:
Base-Base interactions energy: -132.175
where: short stacking energy: -68.902
Base-Backbone interact. energy: -0.630
local terms energy: -64.290792
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -167.134459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.134459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.134459 (E_RNA)
where:
Base-Base interactions energy: -110.431
where: short stacking energy: -56.510
Base-Backbone interact. energy: -0.012
local terms energy: -56.692253
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -8.613
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: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -172.155382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.155382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.155382 (E_RNA)
where:
Base-Base interactions energy: -113.423
where: short stacking energy: -56.591
Base-Backbone interact. energy: -0.067
local terms energy: -58.664504
where:
bonds (distance) C4'-P energy: -8.547
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -78.505802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.505802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.505802 (E_RNA)
where:
Base-Base interactions energy: -37.905
where: short stacking energy: -27.155
Base-Backbone interact. energy: 0.117
local terms energy: -40.717706
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -0.598
tors. eta vs tors. theta energy: 4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -243.232225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.232225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.232225 (E_RNA)
where:
Base-Base interactions energy: -162.291
where: short stacking energy: -81.440
Base-Backbone interact. energy: -0.424
local terms energy: -80.516978
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -215.210196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.210196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.210196 (E_RNA)
where:
Base-Base interactions energy: -141.253
where: short stacking energy: -69.429
Base-Backbone interact. energy: -0.050
local terms energy: -73.907009
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -11.768
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: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -205.655313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.655313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.655313 (E_RNA)
where:
Base-Base interactions energy: -135.932
where: short stacking energy: -76.221
Base-Backbone interact. energy: 0.678
local terms energy: -70.401367
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -203.887549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.887549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.887549 (E_RNA)
where:
Base-Base interactions energy: -133.553
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.049
local terms energy: -70.285126
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -14.837
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: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -218.186258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.186258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.186258 (E_RNA)
where:
Base-Base interactions energy: -146.023
where: short stacking energy: -74.761
Base-Backbone interact. energy: -0.238
local terms energy: -71.924602
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -195.999619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.999619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.999619 (E_RNA)
where:
Base-Base interactions energy: -132.599
where: short stacking energy: -53.548
Base-Backbone interact. energy: -0.496
local terms energy: -62.904906
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -14.125
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: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -161.312715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.312715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.312715 (E_RNA)
where:
Base-Base interactions energy: -105.913
where: short stacking energy: -46.125
Base-Backbone interact. energy: -0.418
local terms energy: -54.981487
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -177.954819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.954819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.954819 (E_RNA)
where:
Base-Base interactions energy: -120.002
where: short stacking energy: -57.211
Base-Backbone interact. energy: 0.751
local terms energy: -58.703499
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -13.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -174.320900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.320900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.320900 (E_RNA)
where:
Base-Base interactions energy: -115.722
where: short stacking energy: -59.700
Base-Backbone interact. energy: -0.218
local terms energy: -58.380128
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -85.994394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.994394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.994394 (E_RNA)
where:
Base-Base interactions energy: -37.675
where: short stacking energy: -24.768
Base-Backbone interact. energy: -0.212
local terms energy: -48.107445
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -1.340
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -240.437701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.437701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.437701 (E_RNA)
where:
Base-Base interactions energy: -155.070
where: short stacking energy: -84.352
Base-Backbone interact. energy: -0.266
local terms energy: -85.101632
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -224.690310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.690310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.690310 (E_RNA)
where:
Base-Base interactions energy: -147.903
where: short stacking energy: -74.208
Base-Backbone interact. energy: -0.002
local terms energy: -76.785284
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -233.419462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.419462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.419462 (E_RNA)
where:
Base-Base interactions energy: -157.111
where: short stacking energy: -83.324
Base-Backbone interact. energy: -0.388
local terms energy: -75.919971
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -200.727192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.727192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.727192 (E_RNA)
where:
Base-Base interactions energy: -127.636
where: short stacking energy: -70.680
Base-Backbone interact. energy: -0.043
local terms energy: -73.048484
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -20.184
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: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -185.471628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.471628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.471628 (E_RNA)
where:
Base-Base interactions energy: -115.287
where: short stacking energy: -64.064
Base-Backbone interact. energy: -0.299
local terms energy: -69.884749
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -214.494600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.494600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.494600 (E_RNA)
where:
Base-Base interactions energy: -139.475
where: short stacking energy: -67.373
Base-Backbone interact. energy: -0.089
local terms energy: -74.930672
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -188.689054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.689054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.689054 (E_RNA)
where:
Base-Base interactions energy: -121.670
where: short stacking energy: -61.890
Base-Backbone interact. energy: -0.012
local terms energy: -67.006164
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -16.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -166.453346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.453346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.453346 (E_RNA)
where:
Base-Base interactions energy: -103.898
where: short stacking energy: -50.176
Base-Backbone interact. energy: -0.017
local terms energy: -62.538419
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -10.658
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: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -169.792222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.792222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.792222 (E_RNA)
where:
Base-Base interactions energy: -106.223
where: short stacking energy: -52.065
Base-Backbone interact. energy: -0.364
local terms energy: -63.205375
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -13.934
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: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -84.590849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.590849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.590849 (E_RNA)
where:
Base-Base interactions energy: -34.520
where: short stacking energy: -34.520
Base-Backbone interact. energy: 1.556
local terms energy: -51.627036
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: 1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -237.968503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.968503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.968503 (E_RNA)
where:
Base-Base interactions energy: -159.299
where: short stacking energy: -83.924
Base-Backbone interact. energy: -0.392
local terms energy: -78.277634
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -11.970
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: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -225.029871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.029871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.029871 (E_RNA)
where:
Base-Base interactions energy: -147.806
where: short stacking energy: -69.530
Base-Backbone interact. energy: -0.768
local terms energy: -76.456651
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -11.433
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: 3, replica: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -195.437623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.437623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.437623 (E_RNA)
where:
Base-Base interactions energy: -132.914
where: short stacking energy: -59.335
Base-Backbone interact. energy: -0.445
local terms energy: -62.079171
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -11.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -206.160774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.160774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.160774 (E_RNA)
where:
Base-Base interactions energy: -142.663
where: short stacking energy: -69.666
Base-Backbone interact. energy: -0.001
local terms energy: -63.496020
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -197.251491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.251491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.251491 (E_RNA)
where:
Base-Base interactions energy: -134.415
where: short stacking energy: -68.885
Base-Backbone interact. energy: -0.032
local terms energy: -62.804602
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -18.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -226.160647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.160647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.160647 (E_RNA)
where:
Base-Base interactions energy: -144.128
where: short stacking energy: -71.675
Base-Backbone interact. energy: 0.093
local terms energy: -82.126068
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -17.000
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -21.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -185.256254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.256254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.256254 (E_RNA)
where:
Base-Base interactions energy: -121.612
where: short stacking energy: -62.670
Base-Backbone interact. energy: -0.013
local terms energy: -63.632133
where:
bonds (distance) C4'-P energy: -7.836
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -12.571
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: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -165.997459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.997459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.997459 (E_RNA)
where:
Base-Base interactions energy: -115.812
where: short stacking energy: -57.926
Base-Backbone interact. energy: -0.122
local terms energy: -50.062977
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -4.531
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -163.776631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.776631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.776631 (E_RNA)
where:
Base-Base interactions energy: -106.688
where: short stacking energy: -49.679
Base-Backbone interact. energy: 0.120
local terms energy: -57.208021
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -4.422
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: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -102.756687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.756687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.756687 (E_RNA)
where:
Base-Base interactions energy: -52.693
where: short stacking energy: -33.868
Base-Backbone interact. energy: -0.097
local terms energy: -49.966243
where:
bonds (distance) C4'-P energy: -5.819
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -234.702975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.702975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.702975 (E_RNA)
where:
Base-Base interactions energy: -154.418
where: short stacking energy: -83.602
Base-Backbone interact. energy: -0.011
local terms energy: -80.273345
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -21.594
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: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -218.404446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.404446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.404446 (E_RNA)
where:
Base-Base interactions energy: -145.239
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.031
local terms energy: -73.135182
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -196.853739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.853739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.853739 (E_RNA)
where:
Base-Base interactions energy: -121.720
where: short stacking energy: -59.328
Base-Backbone interact. energy: -0.389
local terms energy: -74.744980
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -12.816
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: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -207.604458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.604458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.604458 (E_RNA)
where:
Base-Base interactions energy: -136.296
where: short stacking energy: -62.225
Base-Backbone interact. energy: -0.266
local terms energy: -71.042005
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -11.581
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: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -221.893140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.893140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.893140 (E_RNA)
where:
Base-Base interactions energy: -151.987
where: short stacking energy: -78.103
Base-Backbone interact. energy: -0.172
local terms energy: -69.734046
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -22.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -190.242284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.242284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.242284 (E_RNA)
where:
Base-Base interactions energy: -117.926
where: short stacking energy: -57.337
Base-Backbone interact. energy: -1.193
local terms energy: -71.123343
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -16.485
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: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -178.311680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.311680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.311680 (E_RNA)
where:
Base-Base interactions energy: -109.828
where: short stacking energy: -60.973
Base-Backbone interact. energy: -0.054
local terms energy: -68.430364
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -13.610
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: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -198.006790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.006790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.006790 (E_RNA)
where:
Base-Base interactions energy: -136.736
where: short stacking energy: -63.563
Base-Backbone interact. energy: -0.175
local terms energy: -61.096754
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -162.959872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.959872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.959872 (E_RNA)
where:
Base-Base interactions energy: -102.357
where: short stacking energy: -51.806
Base-Backbone interact. energy: -0.164
local terms energy: -60.438488
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -9.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -88.536567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.536567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.536567 (E_RNA)
where:
Base-Base interactions energy: -36.803
where: short stacking energy: -35.916
Base-Backbone interact. energy: -0.607
local terms energy: -51.127185
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -6.423
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: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -235.139207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.139207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.139207 (E_RNA)
where:
Base-Base interactions energy: -157.809
where: short stacking energy: -79.660
Base-Backbone interact. energy: -0.851
local terms energy: -76.479260
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -19.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -198.011771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.011771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.011771 (E_RNA)
where:
Base-Base interactions energy: -126.781
where: short stacking energy: -63.796
Base-Backbone interact. energy: -0.682
local terms energy: -70.548995
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -215.089417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.089417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.089417 (E_RNA)
where:
Base-Base interactions energy: -149.527
where: short stacking energy: -75.055
Base-Backbone interact. energy: -0.070
local terms energy: -65.491605
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -15.102
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: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -228.197989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.197989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.197989 (E_RNA)
where:
Base-Base interactions energy: -153.262
where: short stacking energy: -77.316
Base-Backbone interact. energy: 0.525
local terms energy: -75.461368
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -208.250705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.250705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.250705 (E_RNA)
where:
Base-Base interactions energy: -141.511
where: short stacking energy: -69.526
Base-Backbone interact. energy: -0.920
local terms energy: -65.819176
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -188.835018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.835018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.835018 (E_RNA)
where:
Base-Base interactions energy: -126.800
where: short stacking energy: -63.333
Base-Backbone interact. energy: -0.007
local terms energy: -62.027504
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -196.730203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.730203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.730203 (E_RNA)
where:
Base-Base interactions energy: -128.535
where: short stacking energy: -66.943
Base-Backbone interact. energy: -0.001
local terms energy: -68.194468
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -190.046113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.046113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.046113 (E_RNA)
where:
Base-Base interactions energy: -124.176
where: short stacking energy: -59.078
Base-Backbone interact. energy: 1.304
local terms energy: -67.174530
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -166.712558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.712558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.712558 (E_RNA)
where:
Base-Base interactions energy: -111.541
where: short stacking energy: -50.444
Base-Backbone interact. energy: -0.504
local terms energy: -54.666937
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -8.854
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: 237
Temperature: 1.350000
Total energy: -100.137586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.137586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.137586 (E_RNA)
where:
Base-Base interactions energy: -42.803
where: short stacking energy: -42.803
Base-Backbone interact. energy: -0.001
local terms energy: -57.332765
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -8.837
flat angles P-C4'-P energy: -4.554
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: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -237.412483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.412483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.412483 (E_RNA)
where:
Base-Base interactions energy: -155.520
where: short stacking energy: -78.780
Base-Backbone interact. energy: -0.000
local terms energy: -81.892356
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -192.679636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.679636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.679636 (E_RNA)
where:
Base-Base interactions energy: -127.449
where: short stacking energy: -66.536
Base-Backbone interact. energy: -0.080
local terms energy: -65.150416
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -228.951285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.951285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.951285 (E_RNA)
where:
Base-Base interactions energy: -150.942
where: short stacking energy: -78.312
Base-Backbone interact. energy: -0.013
local terms energy: -77.996582
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -207.429360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.429360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.429360 (E_RNA)
where:
Base-Base interactions energy: -139.094
where: short stacking energy: -68.750
Base-Backbone interact. energy: -0.303
local terms energy: -68.031811
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -194.560013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.560013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.560013 (E_RNA)
where:
Base-Base interactions energy: -126.648
where: short stacking energy: -69.232
Base-Backbone interact. energy: -0.523
local terms energy: -67.389538
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -197.359086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.359086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.359086 (E_RNA)
where:
Base-Base interactions energy: -133.538
where: short stacking energy: -62.618
Base-Backbone interact. energy: -0.249
local terms energy: -63.571298
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -9.421
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -17.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -180.616401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.616401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.616401 (E_RNA)
where:
Base-Base interactions energy: -119.552
where: short stacking energy: -57.107
Base-Backbone interact. energy: -0.854
local terms energy: -60.211001
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -172.705998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.705998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.705998 (E_RNA)
where:
Base-Base interactions energy: -115.741
where: short stacking energy: -53.293
Base-Backbone interact. energy: -0.568
local terms energy: -56.397251
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -11.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -168.849100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.849100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.849100 (E_RNA)
where:
Base-Base interactions energy: -106.397
where: short stacking energy: -50.249
Base-Backbone interact. energy: -0.100
local terms energy: -62.351896
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -8.390
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: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -76.422863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.422863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.422863 (E_RNA)
where:
Base-Base interactions energy: -29.806
where: short stacking energy: -28.123
Base-Backbone interact. energy: -0.194
local terms energy: -46.421909
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -240.003319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.003319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.003319 (E_RNA)
where:
Base-Base interactions energy: -161.765
where: short stacking energy: -76.857
Base-Backbone interact. energy: 0.556
local terms energy: -78.794162
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -20.041
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: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -230.838508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.838508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.838508 (E_RNA)
where:
Base-Base interactions energy: -154.687
where: short stacking energy: -80.256
Base-Backbone interact. energy: -0.321
local terms energy: -75.830496
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -193.048656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.048656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.048656 (E_RNA)
where:
Base-Base interactions energy: -125.002
where: short stacking energy: -63.942
Base-Backbone interact. energy: -0.009
local terms energy: -68.037676
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -16.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -215.006742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.006742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.006742 (E_RNA)
where:
Base-Base interactions energy: -138.430
where: short stacking energy: -71.616
Base-Backbone interact. energy: -0.009
local terms energy: -76.568159
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -189.481269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.481269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.481269 (E_RNA)
where:
Base-Base interactions energy: -127.334
where: short stacking energy: -68.636
Base-Backbone interact. energy: -0.187
local terms energy: -61.960444
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -175.561123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.561123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.561123 (E_RNA)
where:
Base-Base interactions energy: -114.019
where: short stacking energy: -49.511
Base-Backbone interact. energy: -0.529
local terms energy: -61.013083
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -11.455
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: 7, replica: 10
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -186.667737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.667737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.667737 (E_RNA)
where:
Base-Base interactions energy: -128.486
where: short stacking energy: -60.920
Base-Backbone interact. energy: -0.093
local terms energy: -58.088125
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -8.813
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -17.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -185.829559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.829559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.829559 (E_RNA)
where:
Base-Base interactions energy: -117.352
where: short stacking energy: -61.661
Base-Backbone interact. energy: -0.230
local terms energy: -68.247241
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -19.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -172.929747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.929747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.929747 (E_RNA)
where:
Base-Base interactions energy: -111.926
where: short stacking energy: -49.013
Base-Backbone interact. energy: 0.050
local terms energy: -61.053881
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -12.681
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: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -88.170470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.170470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.170470 (E_RNA)
where:
Base-Base interactions energy: -40.358
where: short stacking energy: -34.341
Base-Backbone interact. energy: -0.042
local terms energy: -47.770539
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -8.580
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -5.783
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: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -233.475987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.475987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.475987 (E_RNA)
where:
Base-Base interactions energy: -152.897
where: short stacking energy: -79.494
Base-Backbone interact. energy: -0.000
local terms energy: -80.578769
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -11.760
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: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -230.212880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.212880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.212880 (E_RNA)
where:
Base-Base interactions energy: -153.875
where: short stacking energy: -76.169
Base-Backbone interact. energy: -0.346
local terms energy: -75.992289
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -20.123
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: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -211.318255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.318255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.318255 (E_RNA)
where:
Base-Base interactions energy: -147.624
where: short stacking energy: -70.159
Base-Backbone interact. energy: 1.932
local terms energy: -65.626387
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -193.134651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.134651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.134651 (E_RNA)
where:
Base-Base interactions energy: -120.294
where: short stacking energy: -65.384
Base-Backbone interact. energy: -0.001
local terms energy: -72.839743
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -14.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -198.971329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.971329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.971329 (E_RNA)
where:
Base-Base interactions energy: -129.685
where: short stacking energy: -65.910
Base-Backbone interact. energy: -0.001
local terms energy: -69.284965
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -202.365631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.365631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.365631 (E_RNA)
where:
Base-Base interactions energy: -127.875
where: short stacking energy: -62.935
Base-Backbone interact. energy: -0.083
local terms energy: -74.408031
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -186.467590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.467590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.467590 (E_RNA)
where:
Base-Base interactions energy: -114.634
where: short stacking energy: -62.232
Base-Backbone interact. energy: -0.003
local terms energy: -71.830420
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -12.209
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: 8, replica: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -180.003670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.003670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.003670 (E_RNA)
where:
Base-Base interactions energy: -114.383
where: short stacking energy: -56.929
Base-Backbone interact. energy: -0.514
local terms energy: -65.107036
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -165.826401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.826401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.826401 (E_RNA)
where:
Base-Base interactions energy: -109.923
where: short stacking energy: -49.994
Base-Backbone interact. energy: -0.255
local terms energy: -55.648948
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -10.854
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: 240
Temperature: 1.350000
Total energy: -81.967816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.967816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.967816 (E_RNA)
where:
Base-Base interactions energy: -30.856
where: short stacking energy: -30.856
Base-Backbone interact. energy: -0.351
local terms energy: -50.760102
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -240.180252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.180252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.180252 (E_RNA)
where:
Base-Base interactions energy: -158.857
where: short stacking energy: -78.701
Base-Backbone interact. energy: -0.691
local terms energy: -80.632220
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -22.610
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: 2, replica: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -204.574860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.574860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.574860 (E_RNA)
where:
Base-Base interactions energy: -130.038
where: short stacking energy: -71.096
Base-Backbone interact. energy: -0.004
local terms energy: -74.533011
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -229.918629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.918629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.918629 (E_RNA)
where:
Base-Base interactions energy: -155.766
where: short stacking energy: -77.880
Base-Backbone interact. energy: -0.840
local terms energy: -73.312862
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -23.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -206.389500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.389500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.389500 (E_RNA)
where:
Base-Base interactions energy: -137.092
where: short stacking energy: -66.263
Base-Backbone interact. energy: -0.019
local terms energy: -69.277931
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -16.843
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: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -176.855995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.855995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.855995 (E_RNA)
where:
Base-Base interactions energy: -109.785
where: short stacking energy: -58.058
Base-Backbone interact. energy: -0.155
local terms energy: -66.916037
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -8.973
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -15.223
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: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -184.757095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.757095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.757095 (E_RNA)
where:
Base-Base interactions energy: -116.366
where: short stacking energy: -64.767
Base-Backbone interact. energy: -0.313
local terms energy: -68.077461
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -182.067769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.067769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.067769 (E_RNA)
where:
Base-Base interactions energy: -122.076
where: short stacking energy: -60.002
Base-Backbone interact. energy: -0.571
local terms energy: -59.421075
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -6.820
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -14.609
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: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -168.309708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.309708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.309708 (E_RNA)
where:
Base-Base interactions energy: -111.526
where: short stacking energy: -62.036
Base-Backbone interact. energy: -0.018
local terms energy: -56.766011
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -161.253133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.253133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.253133 (E_RNA)
where:
Base-Base interactions energy: -107.369
where: short stacking energy: -51.975
Base-Backbone interact. energy: -0.323
local terms energy: -53.561455
where:
bonds (distance) C4'-P energy: -4.647
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -10.180
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: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -92.237093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.237093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.237093 (E_RNA)
where:
Base-Base interactions energy: -35.031
where: short stacking energy: -35.031
Base-Backbone interact. energy: 0.543
local terms energy: -57.749283
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -8.751
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: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -239.895444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.895444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.895444 (E_RNA)
where:
Base-Base interactions energy: -158.472
where: short stacking energy: -78.728
Base-Backbone interact. energy: -0.001
local terms energy: -81.421908
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -224.791282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.791282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.791282 (E_RNA)
where:
Base-Base interactions energy: -146.560
where: short stacking energy: -67.483
Base-Backbone interact. energy: -0.225
local terms energy: -78.006933
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -19.595
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: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -224.702865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.702865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.702865 (E_RNA)
where:
Base-Base interactions energy: -153.986
where: short stacking energy: -80.595
Base-Backbone interact. energy: -0.513
local terms energy: -70.203643
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -217.323877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.323877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.323877 (E_RNA)
where:
Base-Base interactions energy: -143.187
where: short stacking energy: -74.231
Base-Backbone interact. energy: -0.059
local terms energy: -74.078357
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -20.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -194.922761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.922761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.922761 (E_RNA)
where:
Base-Base interactions energy: -124.526
where: short stacking energy: -56.006
Base-Backbone interact. energy: -0.052
local terms energy: -70.344798
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -178.339994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.339994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.339994 (E_RNA)
where:
Base-Base interactions energy: -113.486
where: short stacking energy: -57.854
Base-Backbone interact. energy: -0.080
local terms energy: -64.774774
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -158.078050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.078050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.078050 (E_RNA)
where:
Base-Base interactions energy: -102.529
where: short stacking energy: -50.267
Base-Backbone interact. energy: -0.048
local terms energy: -55.500735
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -5.987
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: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -171.301485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.301485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.301485 (E_RNA)
where:
Base-Base interactions energy: -117.286
where: short stacking energy: -65.107
Base-Backbone interact. energy: -0.053
local terms energy: -53.962622
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -164.024944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.024944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.024944 (E_RNA)
where:
Base-Base interactions energy: -105.477
where: short stacking energy: -47.722
Base-Backbone interact. energy: -0.793
local terms energy: -57.754339
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -9.604
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: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -86.646195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.646195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.646195 (E_RNA)
where:
Base-Base interactions energy: -39.759
where: short stacking energy: -27.387
Base-Backbone interact. energy: 0.088
local terms energy: -46.975209
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: 1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -237.323954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.323954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.323954 (E_RNA)
where:
Base-Base interactions energy: -155.192
where: short stacking energy: -79.851
Base-Backbone interact. energy: -0.003
local terms energy: -82.129758
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -21.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -226.181025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.181025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.181025 (E_RNA)
where:
Base-Base interactions energy: -155.320
where: short stacking energy: -75.072
Base-Backbone interact. energy: 0.191
local terms energy: -71.052132
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -20.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -224.994489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.994489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.994489 (E_RNA)
where:
Base-Base interactions energy: -143.122
where: short stacking energy: -77.799
Base-Backbone interact. energy: -1.226
local terms energy: -80.646870
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -194.788026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.788026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.788026 (E_RNA)
where:
Base-Base interactions energy: -119.814
where: short stacking energy: -59.339
Base-Backbone interact. energy: -0.036
local terms energy: -74.938020
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -14.606
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: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -215.157637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.157637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.157637 (E_RNA)
where:
Base-Base interactions energy: -140.977
where: short stacking energy: -68.936
Base-Backbone interact. energy: -0.116
local terms energy: -74.064447
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -172.706962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.706962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.706962 (E_RNA)
where:
Base-Base interactions energy: -104.968
where: short stacking energy: -53.255
Base-Backbone interact. energy: -0.158
local terms energy: -67.581400
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -12.809
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: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -177.595671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.595671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.595671 (E_RNA)
where:
Base-Base interactions energy: -124.489
where: short stacking energy: -63.239
Base-Backbone interact. energy: -0.260
local terms energy: -52.846429
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -11.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -173.875418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.875418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.875418 (E_RNA)
where:
Base-Base interactions energy: -115.470
where: short stacking energy: -63.083
Base-Backbone interact. energy: -0.616
local terms energy: -57.788521
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -9.229
flat angles C4'-P-C4' energy: -9.492
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -169.362280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.362280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.362280 (E_RNA)
where:
Base-Base interactions energy: -109.495
where: short stacking energy: -64.360
Base-Backbone interact. energy: -0.324
local terms energy: -59.542626
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -3.031
tors. eta vs tors. theta energy: -13.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -80.260766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.260766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.260766 (E_RNA)
where:
Base-Base interactions energy: -29.027
where: short stacking energy: -19.444
Base-Backbone interact. energy: 1.225
local terms energy: -52.458492
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -237.831082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.831082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.831082 (E_RNA)
where:
Base-Base interactions energy: -157.369
where: short stacking energy: -82.826
Base-Backbone interact. energy: -0.337
local terms energy: -80.124263
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -232.592942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.592942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.592942 (E_RNA)
where:
Base-Base interactions energy: -160.209
where: short stacking energy: -81.056
Base-Backbone interact. energy: -0.014
local terms energy: -72.370499
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -18.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -187.607185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.607185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.607185 (E_RNA)
where:
Base-Base interactions energy: -125.251
where: short stacking energy: -57.793
Base-Backbone interact. energy: -0.524
local terms energy: -61.832961
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -225.214298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.214298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.214298 (E_RNA)
where:
Base-Base interactions energy: -151.110
where: short stacking energy: -77.714
Base-Backbone interact. energy: -0.000
local terms energy: -74.103668
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -21.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -195.887447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.887447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.887447 (E_RNA)
where:
Base-Base interactions energy: -123.447
where: short stacking energy: -69.702
Base-Backbone interact. energy: -0.124
local terms energy: -72.316132
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -199.952657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.952657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.952657 (E_RNA)
where:
Base-Base interactions energy: -127.723
where: short stacking energy: -64.145
Base-Backbone interact. energy: -0.003
local terms energy: -72.226807
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -10.801
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: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -181.802346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.802346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.802346 (E_RNA)
where:
Base-Base interactions energy: -119.096
where: short stacking energy: -67.956
Base-Backbone interact. energy: -0.003
local terms energy: -62.703780
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -187.366638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.366638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.366638 (E_RNA)
where:
Base-Base interactions energy: -117.802
where: short stacking energy: -64.824
Base-Backbone interact. energy: -0.738
local terms energy: -68.826795
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -165.244307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.244307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.244307 (E_RNA)
where:
Base-Base interactions energy: -109.046
where: short stacking energy: -51.519
Base-Backbone interact. energy: -0.223
local terms energy: -55.975477
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -10.068
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: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -89.746334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.746334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.746334 (E_RNA)
where:
Base-Base interactions energy: -41.405
where: short stacking energy: -34.219
Base-Backbone interact. energy: -0.619
local terms energy: -47.722095
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -2.456
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: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -238.219952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.219952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.219952 (E_RNA)
where:
Base-Base interactions energy: -157.991
where: short stacking energy: -83.656
Base-Backbone interact. energy: -0.025
local terms energy: -80.204352
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -13.071
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: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -239.759747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.759747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.759747 (E_RNA)
where:
Base-Base interactions energy: -156.475
where: short stacking energy: -79.776
Base-Backbone interact. energy: -0.001
local terms energy: -83.284318
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -212.958922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.958922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.958922 (E_RNA)
where:
Base-Base interactions energy: -141.543
where: short stacking energy: -74.897
Base-Backbone interact. energy: -0.047
local terms energy: -71.368202
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -21.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -214.328110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.328110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.328110 (E_RNA)
where:
Base-Base interactions energy: -138.468
where: short stacking energy: -64.481
Base-Backbone interact. energy: -0.117
local terms energy: -75.742345
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -194.221188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.221188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.221188 (E_RNA)
where:
Base-Base interactions energy: -129.653
where: short stacking energy: -64.230
Base-Backbone interact. energy: -0.687
local terms energy: -63.881804
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -7.921
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -184.247739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.247739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.247739 (E_RNA)
where:
Base-Base interactions energy: -118.873
where: short stacking energy: -56.476
Base-Backbone interact. energy: -1.844
local terms energy: -63.530859
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -14.011
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: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -170.609125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.609125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.609125 (E_RNA)
where:
Base-Base interactions energy: -105.890
where: short stacking energy: -51.402
Base-Backbone interact. energy: -0.085
local terms energy: -64.634032
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -10.273
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: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -166.201943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.201943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.201943 (E_RNA)
where:
Base-Base interactions energy: -103.852
where: short stacking energy: -53.854
Base-Backbone interact. energy: 2.310
local terms energy: -64.660127
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -12.645
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: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -170.876010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.876010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.876010 (E_RNA)
where:
Base-Base interactions energy: -104.606
where: short stacking energy: -56.407
Base-Backbone interact. energy: -0.635
local terms energy: -65.634694
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -91.168549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.168549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.168549 (E_RNA)
where:
Base-Base interactions energy: -47.831
where: short stacking energy: -44.068
Base-Backbone interact. energy: -0.431
local terms energy: -42.905832
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -7.817
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -7.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -233.496070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.496070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.496070 (E_RNA)
where:
Base-Base interactions energy: -152.664
where: short stacking energy: -81.439
Base-Backbone interact. energy: -0.009
local terms energy: -80.823576
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -21.798
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: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -239.891294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.891294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.891294 (E_RNA)
where:
Base-Base interactions energy: -160.137
where: short stacking energy: -80.400
Base-Backbone interact. energy: -0.817
local terms energy: -78.937609
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -20.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -220.410696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.410696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.410696 (E_RNA)
where:
Base-Base interactions energy: -148.936
where: short stacking energy: -73.975
Base-Backbone interact. energy: 1.156
local terms energy: -72.630409
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -20.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -211.942048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.942048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.942048 (E_RNA)
where:
Base-Base interactions energy: -144.140
where: short stacking energy: -72.360
Base-Backbone interact. energy: -0.009
local terms energy: -67.793185
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -9.418
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -179.485089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.485089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.485089 (E_RNA)
where:
Base-Base interactions energy: -116.630
where: short stacking energy: -63.832
Base-Backbone interact. energy: -0.003
local terms energy: -62.851672
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -13.324
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: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -171.579679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.579679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.579679 (E_RNA)
where:
Base-Base interactions energy: -103.176
where: short stacking energy: -43.393
Base-Backbone interact. energy: -0.683
local terms energy: -67.720573
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -11.934
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: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -183.688954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.688954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.688954 (E_RNA)
where:
Base-Base interactions energy: -114.898
where: short stacking energy: -68.848
Base-Backbone interact. energy: -0.544
local terms energy: -68.247517
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -169.530316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.530316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.530316 (E_RNA)
where:
Base-Base interactions energy: -112.057
where: short stacking energy: -52.377
Base-Backbone interact. energy: -0.838
local terms energy: -56.634598
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -9.458
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -170.677389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.677389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.677389 (E_RNA)
where:
Base-Base interactions energy: -106.722
where: short stacking energy: -54.745
Base-Backbone interact. energy: -0.075
local terms energy: -63.880907
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -9.949
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -14.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -81.236449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.236449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.236449 (E_RNA)
where:
Base-Base interactions energy: -40.410
where: short stacking energy: -29.197
Base-Backbone interact. energy: -0.177
local terms energy: -40.648884
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: 2.528
tors. eta vs tors. theta energy: 0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -234.423696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.423696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.423696 (E_RNA)
where:
Base-Base interactions energy: -153.226
where: short stacking energy: -85.930
Base-Backbone interact. energy: -0.001
local terms energy: -81.197384
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -22.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -216.715919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.715919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.715919 (E_RNA)
where:
Base-Base interactions energy: -141.777
where: short stacking energy: -71.732
Base-Backbone interact. energy: -0.304
local terms energy: -74.635052
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -229.941638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.941638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.941638 (E_RNA)
where:
Base-Base interactions energy: -149.101
where: short stacking energy: -72.989
Base-Backbone interact. energy: -0.631
local terms energy: -80.209730
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -17.644
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: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -214.802958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.802958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.802958 (E_RNA)
where:
Base-Base interactions energy: -143.318
where: short stacking energy: -75.419
Base-Backbone interact. energy: -0.107
local terms energy: -71.378330
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -15.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -195.568201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.568201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.568201 (E_RNA)
where:
Base-Base interactions energy: -124.961
where: short stacking energy: -55.215
Base-Backbone interact. energy: -0.082
local terms energy: -70.525839
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -12.985
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: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -192.099623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.099623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.099623 (E_RNA)
where:
Base-Base interactions energy: -119.760
where: short stacking energy: -67.349
Base-Backbone interact. energy: -0.015
local terms energy: -72.324579
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -15.968
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: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -189.820078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.820078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.820078 (E_RNA)
where:
Base-Base interactions energy: -125.894
where: short stacking energy: -55.441
Base-Backbone interact. energy: -0.004
local terms energy: -63.921794
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -10.851
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: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -166.772884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.772884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.772884 (E_RNA)
where:
Base-Base interactions energy: -114.559
where: short stacking energy: -48.882
Base-Backbone interact. energy: 0.588
local terms energy: -52.801621
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -10.245
flat angles P-C4'-P energy: -11.426
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: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -164.216139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.216139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.216139 (E_RNA)
where:
Base-Base interactions energy: -102.971
where: short stacking energy: -45.548
Base-Backbone interact. energy: -0.123
local terms energy: -61.122452
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -8.209
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: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -84.342310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.342310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.342310 (E_RNA)
where:
Base-Base interactions energy: -37.963
where: short stacking energy: -35.214
Base-Backbone interact. energy: 0.877
local terms energy: -47.257072
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -0.272
tors. eta vs tors. theta energy: -8.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -233.205968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.205968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.205968 (E_RNA)
where:
Base-Base interactions energy: -149.409
where: short stacking energy: -79.890
Base-Backbone interact. energy: -0.001
local terms energy: -83.796210
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -218.580705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.580705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.580705 (E_RNA)
where:
Base-Base interactions energy: -153.396
where: short stacking energy: -67.771
Base-Backbone interact. energy: -0.026
local terms energy: -65.158717
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -4.953
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: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -223.321428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.321428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.321428 (E_RNA)
where:
Base-Base interactions energy: -150.933
where: short stacking energy: -71.381
Base-Backbone interact. energy: -0.552
local terms energy: -71.836056
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -221.207266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.207266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.207266 (E_RNA)
where:
Base-Base interactions energy: -145.598
where: short stacking energy: -73.238
Base-Backbone interact. energy: -0.291
local terms energy: -75.318620
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -21.781
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: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -195.276536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.276536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.276536 (E_RNA)
where:
Base-Base interactions energy: -129.352
where: short stacking energy: -70.313
Base-Backbone interact. energy: -0.037
local terms energy: -65.887839
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -188.524397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.524397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.524397 (E_RNA)
where:
Base-Base interactions energy: -125.651
where: short stacking energy: -66.797
Base-Backbone interact. energy: -0.002
local terms energy: -62.871597
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -178.438154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.438154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.438154 (E_RNA)
where:
Base-Base interactions energy: -109.551
where: short stacking energy: -44.488
Base-Backbone interact. energy: -0.375
local terms energy: -68.511974
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -9.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -166.575247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.575247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.575247 (E_RNA)
where:
Base-Base interactions energy: -107.630
where: short stacking energy: -56.072
Base-Backbone interact. energy: -0.542
local terms energy: -58.403934
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -3.264
tors. eta vs tors. theta energy: -11.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -89.215466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.215466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.215466 (E_RNA)
where:
Base-Base interactions energy: -40.373
where: short stacking energy: -38.705
Base-Backbone interact. energy: -0.129
local terms energy: -48.713045
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -159.728863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.728863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.728863 (E_RNA)
where:
Base-Base interactions energy: -102.366
where: short stacking energy: -46.428
Base-Backbone interact. energy: -0.057
local terms energy: -57.305262
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -11.034
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: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -240.955992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.955992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.955992 (E_RNA)
where:
Base-Base interactions energy: -161.932
where: short stacking energy: -85.417
Base-Backbone interact. energy: -0.001
local terms energy: -79.022980
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -229.476229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.476229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.476229 (E_RNA)
where:
Base-Base interactions energy: -157.130
where: short stacking energy: -74.633
Base-Backbone interact. energy: -0.001
local terms energy: -72.345486
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -16.607
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: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -221.592764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.592764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.592764 (E_RNA)
where:
Base-Base interactions energy: -145.238
where: short stacking energy: -78.787
Base-Backbone interact. energy: -0.424
local terms energy: -75.931149
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -10.340
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: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -217.603128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.603128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.603128 (E_RNA)
where:
Base-Base interactions energy: -142.924
where: short stacking energy: -68.396
Base-Backbone interact. energy: -0.132
local terms energy: -74.546659
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -19.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -191.730970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.730970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.730970 (E_RNA)
where:
Base-Base interactions energy: -123.705
where: short stacking energy: -65.599
Base-Backbone interact. energy: -0.260
local terms energy: -67.765367
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -16.090
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: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -195.858086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.858086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.858086 (E_RNA)
where:
Base-Base interactions energy: -132.058
where: short stacking energy: -59.978
Base-Backbone interact. energy: 0.617
local terms energy: -64.416649
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -188.370188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.370188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.370188 (E_RNA)
where:
Base-Base interactions energy: -113.687
where: short stacking energy: -60.493
Base-Backbone interact. energy: -0.005
local terms energy: -74.677848
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -167.076487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.076487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.076487 (E_RNA)
where:
Base-Base interactions energy: -99.795
where: short stacking energy: -54.081
Base-Backbone interact. energy: -0.061
local terms energy: -67.220161
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -8.239
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: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -105.386500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.386500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.386500 (E_RNA)
where:
Base-Base interactions energy: -51.607
where: short stacking energy: -48.741
Base-Backbone interact. energy: -0.181
local terms energy: -53.598613
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -156.020611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.020611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.020611 (E_RNA)
where:
Base-Base interactions energy: -103.775
where: short stacking energy: -48.044
Base-Backbone interact. energy: 1.482
local terms energy: -53.727224
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -240.792733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.792733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.792733 (E_RNA)
where:
Base-Base interactions energy: -160.566
where: short stacking energy: -80.289
Base-Backbone interact. energy: -0.015
local terms energy: -80.212213
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -20.531
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: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -222.176239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.176239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.176239 (E_RNA)
where:
Base-Base interactions energy: -142.095
where: short stacking energy: -69.176
Base-Backbone interact. energy: -1.686
local terms energy: -78.395640
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -224.718354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.718354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.718354 (E_RNA)
where:
Base-Base interactions energy: -146.889
where: short stacking energy: -76.320
Base-Backbone interact. energy: -0.172
local terms energy: -77.658082
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -211.335347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.335347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.335347 (E_RNA)
where:
Base-Base interactions energy: -139.507
where: short stacking energy: -69.539
Base-Backbone interact. energy: -0.842
local terms energy: -70.985927
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -205.937994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.937994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.937994 (E_RNA)
where:
Base-Base interactions energy: -134.290
where: short stacking energy: -62.182
Base-Backbone interact. energy: -1.001
local terms energy: -70.647074
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -191.700784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.700784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.700784 (E_RNA)
where:
Base-Base interactions energy: -135.629
where: short stacking energy: -63.817
Base-Backbone interact. energy: -0.377
local terms energy: -55.694893
where:
bonds (distance) C4'-P energy: -8.295
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -3.170
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: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -181.137097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.137097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.137097 (E_RNA)
where:
Base-Base interactions energy: -114.555
where: short stacking energy: -57.068
Base-Backbone interact. energy: -0.001
local terms energy: -66.581125
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -172.213825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.213825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.213825 (E_RNA)
where:
Base-Base interactions energy: -118.913
where: short stacking energy: -62.702
Base-Backbone interact. energy: -0.081
local terms energy: -53.219662
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -159.719633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.719633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.719633 (E_RNA)
where:
Base-Base interactions energy: -100.745
where: short stacking energy: -47.354
Base-Backbone interact. energy: -0.011
local terms energy: -58.963626
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -10.382
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -11.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -101.988453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.988453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.988453 (E_RNA)
where:
Base-Base interactions energy: -53.381
where: short stacking energy: -24.979
Base-Backbone interact. energy: -0.083
local terms energy: -48.524314
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -232.667565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.667565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.667565 (E_RNA)
where:
Base-Base interactions energy: -150.581
where: short stacking energy: -77.681
Base-Backbone interact. energy: -0.063
local terms energy: -82.023634
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -10.148
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: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -233.047940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.047940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.047940 (E_RNA)
where:
Base-Base interactions energy: -152.284
where: short stacking energy: -84.574
Base-Backbone interact. energy: -0.001
local terms energy: -80.762737
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -21.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -213.756445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.756445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.756445 (E_RNA)
where:
Base-Base interactions energy: -132.803
where: short stacking energy: -66.062
Base-Backbone interact. energy: -0.032
local terms energy: -80.921997
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -20.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -209.836995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.836995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.836995 (E_RNA)
where:
Base-Base interactions energy: -133.425
where: short stacking energy: -62.243
Base-Backbone interact. energy: -0.002
local terms energy: -76.409245
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -22.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -210.152683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.152683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.152683 (E_RNA)
where:
Base-Base interactions energy: -137.571
where: short stacking energy: -68.483
Base-Backbone interact. energy: -0.103
local terms energy: -72.478184
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -10.185
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: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -201.688551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.688551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.688551 (E_RNA)
where:
Base-Base interactions energy: -133.135
where: short stacking energy: -54.990
Base-Backbone interact. energy: -0.027
local terms energy: -68.527050
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -17.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -178.063619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.063619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.063619 (E_RNA)
where:
Base-Base interactions energy: -112.781
where: short stacking energy: -53.041
Base-Backbone interact. energy: -0.203
local terms energy: -65.079839
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -11.751
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: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -194.810130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.810130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.810130 (E_RNA)
where:
Base-Base interactions energy: -123.683
where: short stacking energy: -62.303
Base-Backbone interact. energy: -0.109
local terms energy: -71.018766
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -163.382951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.382951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.382951 (E_RNA)
where:
Base-Base interactions energy: -108.877
where: short stacking energy: -49.727
Base-Backbone interact. energy: -0.068
local terms energy: -54.437115
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -93.571757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.571757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.571757 (E_RNA)
where:
Base-Base interactions energy: -47.984
where: short stacking energy: -35.580
Base-Backbone interact. energy: -0.183
local terms energy: -45.405104
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -7.834
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: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -234.987103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.987103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.987103 (E_RNA)
where:
Base-Base interactions energy: -153.311
where: short stacking energy: -77.648
Base-Backbone interact. energy: -0.987
local terms energy: -80.688475
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -21.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -234.933544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.933544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.933544 (E_RNA)
where:
Base-Base interactions energy: -155.738
where: short stacking energy: -77.631
Base-Backbone interact. energy: -0.005
local terms energy: -79.191131
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -220.833282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.833282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.833282 (E_RNA)
where:
Base-Base interactions energy: -144.886
where: short stacking energy: -78.610
Base-Backbone interact. energy: -0.000
local terms energy: -75.947322
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -200.143834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.143834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.143834 (E_RNA)
where:
Base-Base interactions energy: -133.851
where: short stacking energy: -68.593
Base-Backbone interact. energy: -0.795
local terms energy: -65.497372
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -12.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -210.931120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.931120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.931120 (E_RNA)
where:
Base-Base interactions energy: -142.216
where: short stacking energy: -60.673
Base-Backbone interact. energy: -0.090
local terms energy: -68.625911
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -195.532257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.532257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.532257 (E_RNA)
where:
Base-Base interactions energy: -134.095
where: short stacking energy: -65.050
Base-Backbone interact. energy: -0.045
local terms energy: -61.392279
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -179.196637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.196637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.196637 (E_RNA)
where:
Base-Base interactions energy: -120.780
where: short stacking energy: -48.579
Base-Backbone interact. energy: -0.075
local terms energy: -58.341543
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -173.007680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.007680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.007680 (E_RNA)
where:
Base-Base interactions energy: -102.823
where: short stacking energy: -56.105
Base-Backbone interact. energy: 0.401
local terms energy: -70.585619
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -165.045081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.045081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.045081 (E_RNA)
where:
Base-Base interactions energy: -106.781
where: short stacking energy: -51.073
Base-Backbone interact. energy: -0.138
local terms energy: -58.126613
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -8.330
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: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -93.146940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.146940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.146940 (E_RNA)
where:
Base-Base interactions energy: -41.517
where: short stacking energy: -31.928
Base-Backbone interact. energy: -0.667
local terms energy: -50.963652
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -229.141620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.141620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.141620 (E_RNA)
where:
Base-Base interactions energy: -156.684
where: short stacking energy: -73.443
Base-Backbone interact. energy: -0.338
local terms energy: -72.119967
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -13.408
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: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -233.470064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.470064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.470064 (E_RNA)
where:
Base-Base interactions energy: -154.908
where: short stacking energy: -80.760
Base-Backbone interact. energy: -0.014
local terms energy: -78.547493
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -19.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -217.380350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.380350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.380350 (E_RNA)
where:
Base-Base interactions energy: -150.295
where: short stacking energy: -71.027
Base-Backbone interact. energy: -0.998
local terms energy: -66.087537
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -10.540
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: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -193.563681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.563681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.563681 (E_RNA)
where:
Base-Base interactions energy: -120.847
where: short stacking energy: -66.321
Base-Backbone interact. energy: -0.736
local terms energy: -71.979768
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -208.738663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.738663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.738663 (E_RNA)
where:
Base-Base interactions energy: -137.662
where: short stacking energy: -66.384
Base-Backbone interact. energy: -0.160
local terms energy: -70.916162
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -182.046483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.046483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.046483 (E_RNA)
where:
Base-Base interactions energy: -118.920
where: short stacking energy: -62.605
Base-Backbone interact. energy: 0.122
local terms energy: -63.248177
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -180.456686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.456686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.456686 (E_RNA)
where:
Base-Base interactions energy: -115.116
where: short stacking energy: -60.685
Base-Backbone interact. energy: -0.072
local terms energy: -65.268580
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -10.155
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: 8, replica: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -170.455513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.455513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.455513 (E_RNA)
where:
Base-Base interactions energy: -109.391
where: short stacking energy: -52.105
Base-Backbone interact. energy: -0.006
local terms energy: -61.057967
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -13.490
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: 253
Temperature: 1.300000
Total energy: -178.240613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.240613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.240613 (E_RNA)
where:
Base-Base interactions energy: -115.062
where: short stacking energy: -62.994
Base-Backbone interact. energy: -0.146
local terms energy: -63.032800
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -12.730
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: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -85.004487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.004487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.004487 (E_RNA)
where:
Base-Base interactions energy: -31.415
where: short stacking energy: -31.274
Base-Backbone interact. energy: -0.184
local terms energy: -53.405320
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: 1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -242.011674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.011674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.011674 (E_RNA)
where:
Base-Base interactions energy: -158.184
where: short stacking energy: -79.997
Base-Backbone interact. energy: -0.165
local terms energy: -83.663186
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -20.475
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: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -233.453808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.453808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.453808 (E_RNA)
where:
Base-Base interactions energy: -153.640
where: short stacking energy: -78.750
Base-Backbone interact. energy: 0.625
local terms energy: -80.439306
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -214.460831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.460831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.460831 (E_RNA)
where:
Base-Base interactions energy: -145.267
where: short stacking energy: -74.373
Base-Backbone interact. energy: -0.007
local terms energy: -69.187234
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -200.237720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.237720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.237720 (E_RNA)
where:
Base-Base interactions energy: -127.050
where: short stacking energy: -70.446
Base-Backbone interact. energy: -0.981
local terms energy: -72.206931
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -186.573160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.573160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.573160 (E_RNA)
where:
Base-Base interactions energy: -123.524
where: short stacking energy: -56.757
Base-Backbone interact. energy: -0.707
local terms energy: -62.342975
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -11.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -174.419440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.419440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.419440 (E_RNA)
where:
Base-Base interactions energy: -111.636
where: short stacking energy: -46.576
Base-Backbone interact. energy: 0.203
local terms energy: -62.986525
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -5.734
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: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -184.620941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.620941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.620941 (E_RNA)
where:
Base-Base interactions energy: -116.557
where: short stacking energy: -58.512
Base-Backbone interact. energy: -0.092
local terms energy: -67.971222
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -185.227816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.227816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.227816 (E_RNA)
where:
Base-Base interactions energy: -118.129
where: short stacking energy: -58.320
Base-Backbone interact. energy: -1.723
local terms energy: -65.375043
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -12.500
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: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -158.629097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.629097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.629097 (E_RNA)
where:
Base-Base interactions energy: -105.897
where: short stacking energy: -58.078
Base-Backbone interact. energy: -0.168
local terms energy: -52.563503
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -9.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -100.526269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.526269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.526269 (E_RNA)
where:
Base-Base interactions energy: -44.738
where: short stacking energy: -42.452
Base-Backbone interact. energy: -0.129
local terms energy: -55.659324
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: -13.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -242.366160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.366160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.366160 (E_RNA)
where:
Base-Base interactions energy: -166.225
where: short stacking energy: -83.246
Base-Backbone interact. energy: -0.101
local terms energy: -76.040510
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -228.113903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.113903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.113903 (E_RNA)
where:
Base-Base interactions energy: -156.074
where: short stacking energy: -82.366
Base-Backbone interact. energy: -0.810
local terms energy: -71.229626
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -10.310
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: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -188.057763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.057763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.057763 (E_RNA)
where:
Base-Base interactions energy: -118.800
where: short stacking energy: -70.526
Base-Backbone interact. energy: -0.115
local terms energy: -69.143020
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -10.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -188.312711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.312711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.312711 (E_RNA)
where:
Base-Base interactions energy: -127.952
where: short stacking energy: -64.157
Base-Backbone interact. energy: -0.014
local terms energy: -60.346999
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -192.427389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.427389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.427389 (E_RNA)
where:
Base-Base interactions energy: -123.346
where: short stacking energy: -67.926
Base-Backbone interact. energy: -0.132
local terms energy: -68.949375
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -14.681
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: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -186.892167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.892167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.892167 (E_RNA)
where:
Base-Base interactions energy: -122.007
where: short stacking energy: -62.976
Base-Backbone interact. energy: -0.008
local terms energy: -64.877312
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -9.690
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: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -186.585311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.585311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.585311 (E_RNA)
where:
Base-Base interactions energy: -119.585
where: short stacking energy: -55.021
Base-Backbone interact. energy: -0.126
local terms energy: -66.874734
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -176.973882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.973882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.973882 (E_RNA)
where:
Base-Base interactions energy: -115.017
where: short stacking energy: -50.431
Base-Backbone interact. energy: -1.257
local terms energy: -60.699932
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -5.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -168.393987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.393987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.393987 (E_RNA)
where:
Base-Base interactions energy: -104.459
where: short stacking energy: -50.147
Base-Backbone interact. energy: -0.006
local terms energy: -63.929486
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -13.083
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: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -82.555919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.555919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.555919 (E_RNA)
where:
Base-Base interactions energy: -34.526
where: short stacking energy: -34.526
Base-Backbone interact. energy: -0.494
local terms energy: -47.536487
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -1.886
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -237.610160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.610160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.610160 (E_RNA)
where:
Base-Base interactions energy: -158.216
where: short stacking energy: -80.686
Base-Backbone interact. energy: -0.000
local terms energy: -79.394214
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -234.351180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.351180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.351180 (E_RNA)
where:
Base-Base interactions energy: -154.876
where: short stacking energy: -78.677
Base-Backbone interact. energy: -0.600
local terms energy: -78.874885
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -215.483413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.483413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.483413 (E_RNA)
where:
Base-Base interactions energy: -142.307
where: short stacking energy: -74.833
Base-Backbone interact. energy: -0.800
local terms energy: -72.376692
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -192.570205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.570205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.570205 (E_RNA)
where:
Base-Base interactions energy: -124.618
where: short stacking energy: -66.413
Base-Backbone interact. energy: -0.004
local terms energy: -67.947542
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -193.937186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.937186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.937186 (E_RNA)
where:
Base-Base interactions energy: -129.413
where: short stacking energy: -66.287
Base-Backbone interact. energy: -0.191
local terms energy: -64.332875
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -4.066
tors. eta vs tors. theta energy: -15.866
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: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -177.927173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.927173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.927173 (E_RNA)
where:
Base-Base interactions energy: -111.499
where: short stacking energy: -58.521
Base-Backbone interact. energy: -0.450
local terms energy: -65.978434
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -170.561710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.561710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.561710 (E_RNA)
where:
Base-Base interactions energy: -109.642
where: short stacking energy: -52.106
Base-Backbone interact. energy: -0.060
local terms energy: -60.859294
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -175.219959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.219959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.219959 (E_RNA)
where:
Base-Base interactions energy: -115.022
where: short stacking energy: -53.992
Base-Backbone interact. energy: -0.143
local terms energy: -60.055476
where:
bonds (distance) C4'-P energy: -8.423
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -173.496009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.496009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.496009 (E_RNA)
where:
Base-Base interactions energy: -103.605
where: short stacking energy: -54.747
Base-Backbone interact. energy: -0.540
local terms energy: -69.350882
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -97.198814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.198814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.198814 (E_RNA)
where:
Base-Base interactions energy: -39.796
where: short stacking energy: -26.406
Base-Backbone interact. energy: -0.128
local terms energy: -57.274171
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: 0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -229.046188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.046188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.046188 (E_RNA)
where:
Base-Base interactions energy: -150.366
where: short stacking energy: -75.521
Base-Backbone interact. energy: -0.233
local terms energy: -78.447263
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -220.973129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.973129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.973129 (E_RNA)
where:
Base-Base interactions energy: -152.043
where: short stacking energy: -78.187
Base-Backbone interact. energy: -0.004
local terms energy: -68.926055
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -231.822467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.822467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.822467 (E_RNA)
where:
Base-Base interactions energy: -148.835
where: short stacking energy: -71.192
Base-Backbone interact. energy: -0.497
local terms energy: -82.489781
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -22.396
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: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -218.066238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.066238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.066238 (E_RNA)
where:
Base-Base interactions energy: -151.073
where: short stacking energy: -79.065
Base-Backbone interact. energy: -0.000
local terms energy: -66.992971
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -9.859
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -179.555863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.555863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.555863 (E_RNA)
where:
Base-Base interactions energy: -113.553
where: short stacking energy: -59.604
Base-Backbone interact. energy: -0.094
local terms energy: -65.908736
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -14.235
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: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -182.646308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.646308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.646308 (E_RNA)
where:
Base-Base interactions energy: -114.166
where: short stacking energy: -58.618
Base-Backbone interact. energy: -1.497
local terms energy: -66.982930
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -12.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -173.618406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.618406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.618406 (E_RNA)
where:
Base-Base interactions energy: -105.416
where: short stacking energy: -50.294
Base-Backbone interact. energy: -0.096
local terms energy: -68.106541
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -10.364
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: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -180.608818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.608818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.608818 (E_RNA)
where:
Base-Base interactions energy: -119.764
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.080
local terms energy: -60.764535
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -10.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -186.235988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.235988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.235988 (E_RNA)
where:
Base-Base interactions energy: -121.334
where: short stacking energy: -65.895
Base-Backbone interact. energy: -0.097
local terms energy: -64.804839
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -11.004
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: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -90.460132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.460132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.460132 (E_RNA)
where:
Base-Base interactions energy: -35.840
where: short stacking energy: -34.480
Base-Backbone interact. energy: -0.034
local terms energy: -54.586553
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -7.064
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: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -235.817593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.817593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.817593 (E_RNA)
where:
Base-Base interactions energy: -155.049
where: short stacking energy: -80.253
Base-Backbone interact. energy: -0.174
local terms energy: -80.594412
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -12.028
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: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -229.368826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.368826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.368826 (E_RNA)
where:
Base-Base interactions energy: -155.593
where: short stacking energy: -80.072
Base-Backbone interact. energy: -0.001
local terms energy: -73.774850
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.617
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: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -230.190222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.190222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.190222 (E_RNA)
where:
Base-Base interactions energy: -154.429
where: short stacking energy: -75.887
Base-Backbone interact. energy: -0.001
local terms energy: -75.760455
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -214.659363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.659363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.659363 (E_RNA)
where:
Base-Base interactions energy: -148.056
where: short stacking energy: -74.876
Base-Backbone interact. energy: -0.033
local terms energy: -66.570642
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -20.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -188.302506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.302506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.302506 (E_RNA)
where:
Base-Base interactions energy: -128.456
where: short stacking energy: -64.971
Base-Backbone interact. energy: -1.674
local terms energy: -58.172712
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -183.248547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.248547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.248547 (E_RNA)
where:
Base-Base interactions energy: -118.086
where: short stacking energy: -67.302
Base-Backbone interact. energy: -0.980
local terms energy: -64.183086
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -16.212
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: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -193.815710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.815710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.815710 (E_RNA)
where:
Base-Base interactions energy: -124.272
where: short stacking energy: -55.187
Base-Backbone interact. energy: 1.466
local terms energy: -71.009597
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -172.883651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.883651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.883651 (E_RNA)
where:
Base-Base interactions energy: -108.242
where: short stacking energy: -57.615
Base-Backbone interact. energy: -0.142
local terms energy: -64.499254
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -165.155936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.155936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.155936 (E_RNA)
where:
Base-Base interactions energy: -96.522
where: short stacking energy: -48.320
Base-Backbone interact. energy: -0.338
local terms energy: -68.295553
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -89.560025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.560025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.560025 (E_RNA)
where:
Base-Base interactions energy: -38.335
where: short stacking energy: -38.735
Base-Backbone interact. energy: -0.121
local terms energy: -51.103882
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -5.798
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: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -231.484651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.484651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.484651 (E_RNA)
where:
Base-Base interactions energy: -152.946
where: short stacking energy: -83.645
Base-Backbone interact. energy: -0.433
local terms energy: -78.105438
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -19.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -227.908709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.908709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.908709 (E_RNA)
where:
Base-Base interactions energy: -151.384
where: short stacking energy: -74.190
Base-Backbone interact. energy: -0.288
local terms energy: -76.236902
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -23.033
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: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -226.497253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.497253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.497253 (E_RNA)
where:
Base-Base interactions energy: -151.664
where: short stacking energy: -73.216
Base-Backbone interact. energy: -0.001
local terms energy: -74.831396
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -22.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -192.305886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.305886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.305886 (E_RNA)
where:
Base-Base interactions energy: -116.266
where: short stacking energy: -68.365
Base-Backbone interact. energy: -0.330
local terms energy: -75.709758
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -193.544353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.544353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.544353 (E_RNA)
where:
Base-Base interactions energy: -122.048
where: short stacking energy: -75.602
Base-Backbone interact. energy: -0.005
local terms energy: -71.490960
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -17.945
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: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -185.992114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.992114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.992114 (E_RNA)
where:
Base-Base interactions energy: -114.483
where: short stacking energy: -50.274
Base-Backbone interact. energy: -0.639
local terms energy: -70.869954
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -179.998972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.998972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.998972 (E_RNA)
where:
Base-Base interactions energy: -116.376
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.033
local terms energy: -63.590069
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -4.045
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -174.428558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.428558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.428558 (E_RNA)
where:
Base-Base interactions energy: -111.004
where: short stacking energy: -55.367
Base-Backbone interact. energy: -0.453
local terms energy: -62.971408
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -164.962598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.962598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.962598 (E_RNA)
where:
Base-Base interactions energy: -105.323
where: short stacking energy: -50.333
Base-Backbone interact. energy: -0.285
local terms energy: -59.354807
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -84.981062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.981062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.981062 (E_RNA)
where:
Base-Base interactions energy: -40.084
where: short stacking energy: -31.964
Base-Backbone interact. energy: 0.269
local terms energy: -45.165224
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -8.222
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: 1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -231.205283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.205283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.205283 (E_RNA)
where:
Base-Base interactions energy: -158.115
where: short stacking energy: -80.120
Base-Backbone interact. energy: -0.179
local terms energy: -72.911507
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -227.003749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.003749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.003749 (E_RNA)
where:
Base-Base interactions energy: -147.396
where: short stacking energy: -80.056
Base-Backbone interact. energy: 0.050
local terms energy: -79.657392
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -22.132
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: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -233.008328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.008328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.008328 (E_RNA)
where:
Base-Base interactions energy: -156.623
where: short stacking energy: -79.370
Base-Backbone interact. energy: 0.666
local terms energy: -77.051505
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -201.005893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.005893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.005893 (E_RNA)
where:
Base-Base interactions energy: -135.679
where: short stacking energy: -71.799
Base-Backbone interact. energy: -0.003
local terms energy: -65.323616
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -15.414
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: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -209.674218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.674218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.674218 (E_RNA)
where:
Base-Base interactions energy: -146.502
where: short stacking energy: -73.149
Base-Backbone interact. energy: -0.601
local terms energy: -62.570501
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -182.382960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.382960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.382960 (E_RNA)
where:
Base-Base interactions energy: -112.252
where: short stacking energy: -56.772
Base-Backbone interact. energy: -0.062
local terms energy: -70.069013
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -9.256
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: 7, replica: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -177.181593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.181593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.181593 (E_RNA)
where:
Base-Base interactions energy: -108.488
where: short stacking energy: -62.765
Base-Backbone interact. energy: -0.583
local terms energy: -68.111136
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -8.668
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: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -177.911562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.911562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.911562 (E_RNA)
where:
Base-Base interactions energy: -116.272
where: short stacking energy: -57.540
Base-Backbone interact. energy: -0.006
local terms energy: -61.633337
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -3.483
tors. eta vs tors. theta energy: -17.424
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: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -180.651598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.651598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.651598 (E_RNA)
where:
Base-Base interactions energy: -122.862
where: short stacking energy: -57.587
Base-Backbone interact. energy: 0.147
local terms energy: -57.937032
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -8.578
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -11.860
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: 260
Temperature: 1.350000
Total energy: -86.053278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.053278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.053278 (E_RNA)
where:
Base-Base interactions energy: -39.433
where: short stacking energy: -30.685
Base-Backbone interact. energy: -0.112
local terms energy: -46.508860
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -234.969194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.969194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.969194 (E_RNA)
where:
Base-Base interactions energy: -157.687
where: short stacking energy: -81.150
Base-Backbone interact. energy: -0.000
local terms energy: -77.281729
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -14.248
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: -223.024177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.024177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.024177 (E_RNA)
where:
Base-Base interactions energy: -145.640
where: short stacking energy: -69.188
Base-Backbone interact. energy: 1.096
local terms energy: -78.480115
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -215.908834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.908834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.908834 (E_RNA)
where:
Base-Base interactions energy: -139.945
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.426
local terms energy: -75.538029
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -12.518
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: 4, replica: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -214.751204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.751204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.751204 (E_RNA)
where:
Base-Base interactions energy: -145.670
where: short stacking energy: -64.577
Base-Backbone interact. energy: -0.141
local terms energy: -68.941183
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -17.510
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: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -188.897066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.897066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.897066 (E_RNA)
where:
Base-Base interactions energy: -119.080
where: short stacking energy: -63.319
Base-Backbone interact. energy: -0.083
local terms energy: -69.734151
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -182.506835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.506835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.506835 (E_RNA)
where:
Base-Base interactions energy: -116.958
where: short stacking energy: -51.576
Base-Backbone interact. energy: -0.153
local terms energy: -65.395353
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -14.149
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: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -182.507323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.507323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.507323 (E_RNA)
where:
Base-Base interactions energy: -119.143
where: short stacking energy: -55.293
Base-Backbone interact. energy: -0.697
local terms energy: -62.667924
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -14.567
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: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -182.491544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.491544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.491544 (E_RNA)
where:
Base-Base interactions energy: -119.094
where: short stacking energy: -56.775
Base-Backbone interact. energy: -0.001
local terms energy: -63.395817
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -9.127
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -175.856811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.856811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.856811 (E_RNA)
where:
Base-Base interactions energy: -107.106
where: short stacking energy: -51.722
Base-Backbone interact. energy: -0.262
local terms energy: -68.488466
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -82.129293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.129293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.129293 (E_RNA)
where:
Base-Base interactions energy: -33.462
where: short stacking energy: -33.462
Base-Backbone interact. energy: -0.077
local terms energy: -48.590727
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -7.665
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -8.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -239.021009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.021009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.021009 (E_RNA)
where:
Base-Base interactions energy: -158.449
where: short stacking energy: -74.587
Base-Backbone interact. energy: -0.238
local terms energy: -80.333776
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -22.709
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: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -229.167600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.167600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.167600 (E_RNA)
where:
Base-Base interactions energy: -147.666
where: short stacking energy: -73.337
Base-Backbone interact. energy: -1.028
local terms energy: -80.474251
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -20.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -216.693127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.693127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.693127 (E_RNA)
where:
Base-Base interactions energy: -146.197
where: short stacking energy: -70.198
Base-Backbone interact. energy: -0.065
local terms energy: -70.431513
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -204.949571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.949571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.949571 (E_RNA)
where:
Base-Base interactions energy: -134.054
where: short stacking energy: -60.067
Base-Backbone interact. energy: -0.039
local terms energy: -70.856434
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -179.961909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.961909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.961909 (E_RNA)
where:
Base-Base interactions energy: -116.459
where: short stacking energy: -59.357
Base-Backbone interact. energy: -0.012
local terms energy: -63.490522
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -12.669
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: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -187.396881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.396881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.396881 (E_RNA)
where:
Base-Base interactions energy: -117.548
where: short stacking energy: -66.833
Base-Backbone interact. energy: -0.003
local terms energy: -69.845704
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -185.330984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.330984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.330984 (E_RNA)
where:
Base-Base interactions energy: -121.762
where: short stacking energy: -59.484
Base-Backbone interact. energy: -0.208
local terms energy: -63.360459
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -167.168639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.168639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.168639 (E_RNA)
where:
Base-Base interactions energy: -108.015
where: short stacking energy: -58.078
Base-Backbone interact. energy: -0.192
local terms energy: -58.961145
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -9.185
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: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -88.326114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.326114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.326114 (E_RNA)
where:
Base-Base interactions energy: -33.818
where: short stacking energy: -33.818
Base-Backbone interact. energy: -0.119
local terms energy: -54.389075
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -152.429162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.429162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.429162 (E_RNA)
where:
Base-Base interactions energy: -98.772
where: short stacking energy: -49.403
Base-Backbone interact. energy: -0.107
local terms energy: -53.550602
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -231.344951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.344951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.344951 (E_RNA)
where:
Base-Base interactions energy: -151.347
where: short stacking energy: -73.712
Base-Backbone interact. energy: -0.857
local terms energy: -79.140644
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -221.718082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.718082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.718082 (E_RNA)
where:
Base-Base interactions energy: -144.377
where: short stacking energy: -66.216
Base-Backbone interact. energy: -1.110
local terms energy: -76.231282
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -7.781
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: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -223.034782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.034782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.034782 (E_RNA)
where:
Base-Base interactions energy: -149.226
where: short stacking energy: -76.560
Base-Backbone interact. energy: -0.067
local terms energy: -73.741643
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -7.019
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: 4, replica: 10
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -180.831206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.831206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.831206 (E_RNA)
where:
Base-Base interactions energy: -123.256
where: short stacking energy: -66.562
Base-Backbone interact. energy: -0.469
local terms energy: -57.106630
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -6.382
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: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -191.041432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.041432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.041432 (E_RNA)
where:
Base-Base interactions energy: -122.280
where: short stacking energy: -51.508
Base-Backbone interact. energy: -0.192
local terms energy: -68.569739
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -191.386591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.386591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.386591 (E_RNA)
where:
Base-Base interactions energy: -118.825
where: short stacking energy: -40.833
Base-Backbone interact. energy: -1.368
local terms energy: -71.193452
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -12.801
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: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -180.652363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.652363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.652363 (E_RNA)
where:
Base-Base interactions energy: -109.709
where: short stacking energy: -61.870
Base-Backbone interact. energy: -0.025
local terms energy: -70.918038
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -161.424022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.424022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.424022 (E_RNA)
where:
Base-Base interactions energy: -104.323
where: short stacking energy: -52.004
Base-Backbone interact. energy: -0.803
local terms energy: -56.297576
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -11.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -87.098899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.098899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.098899 (E_RNA)
where:
Base-Base interactions energy: -30.968
where: short stacking energy: -23.669
Base-Backbone interact. energy: -0.221
local terms energy: -55.909818
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -165.901227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.901227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.901227 (E_RNA)
where:
Base-Base interactions energy: -105.877
where: short stacking energy: -54.942
Base-Backbone interact. energy: -0.118
local terms energy: -59.906322
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -223.304472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.304472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.304472 (E_RNA)
where:
Base-Base interactions energy: -159.619
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.826
local terms energy: -62.859552
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -18.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -228.971933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.971933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.971933 (E_RNA)
where:
Base-Base interactions energy: -151.493
where: short stacking energy: -70.165
Base-Backbone interact. energy: -0.055
local terms energy: -77.423853
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -224.027522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.027522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.027522 (E_RNA)
where:
Base-Base interactions energy: -150.825
where: short stacking energy: -69.572
Base-Backbone interact. energy: -0.080
local terms energy: -73.122271
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -187.153135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.153135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.153135 (E_RNA)
where:
Base-Base interactions energy: -121.431
where: short stacking energy: -63.873
Base-Backbone interact. energy: -0.027
local terms energy: -65.695033
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -14.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -216.830063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.830063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.830063 (E_RNA)
where:
Base-Base interactions energy: -145.904
where: short stacking energy: -68.828
Base-Backbone interact. energy: -1.002
local terms energy: -69.924368
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -7.374
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: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -188.934204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.934204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.934204 (E_RNA)
where:
Base-Base interactions energy: -117.046
where: short stacking energy: -62.931
Base-Backbone interact. energy: -0.025
local terms energy: -71.863190
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -15.262
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: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -177.801631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.801631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.801631 (E_RNA)
where:
Base-Base interactions energy: -122.477
where: short stacking energy: -57.594
Base-Backbone interact. energy: -0.900
local terms energy: -54.425076
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -178.577678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.577678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.577678 (E_RNA)
where:
Base-Base interactions energy: -112.834
where: short stacking energy: -52.453
Base-Backbone interact. energy: -0.025
local terms energy: -65.718701
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -8.373
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: 9, replica: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -187.846281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.846281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.846281 (E_RNA)
where:
Base-Base interactions energy: -119.760
where: short stacking energy: -57.467
Base-Backbone interact. energy: -0.134
local terms energy: -67.952279
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -84.551822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.551822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.551822 (E_RNA)
where:
Base-Base interactions energy: -31.830
where: short stacking energy: -27.998
Base-Backbone interact. energy: -0.086
local terms energy: -52.635008
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -224.008044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.008044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.008044 (E_RNA)
where:
Base-Base interactions energy: -142.917
where: short stacking energy: -69.852
Base-Backbone interact. energy: -0.127
local terms energy: -80.964216
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -234.806352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.806352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.806352 (E_RNA)
where:
Base-Base interactions energy: -155.652
where: short stacking energy: -74.646
Base-Backbone interact. energy: -0.216
local terms energy: -78.938619
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -229.761635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.761635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.761635 (E_RNA)
where:
Base-Base interactions energy: -153.152
where: short stacking energy: -74.148
Base-Backbone interact. energy: -0.456
local terms energy: -76.154032
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -21.291
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: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -223.710575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.710575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.710575 (E_RNA)
where:
Base-Base interactions energy: -146.705
where: short stacking energy: -77.926
Base-Backbone interact. energy: -0.136
local terms energy: -76.869402
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -176.809262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.809262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.809262 (E_RNA)
where:
Base-Base interactions energy: -119.450
where: short stacking energy: -54.764
Base-Backbone interact. energy: -0.111
local terms energy: -57.248512
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -8.488
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -199.826733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.826733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.826733 (E_RNA)
where:
Base-Base interactions energy: -131.853
where: short stacking energy: -65.781
Base-Backbone interact. energy: -0.115
local terms energy: -67.858575
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -8.936
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: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -183.019382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.019382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.019382 (E_RNA)
where:
Base-Base interactions energy: -118.688
where: short stacking energy: -58.331
Base-Backbone interact. energy: -0.119
local terms energy: -64.212808
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -181.883651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.883651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.883651 (E_RNA)
where:
Base-Base interactions energy: -114.459
where: short stacking energy: -53.757
Base-Backbone interact. energy: 0.521
local terms energy: -67.946193
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -9.363
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: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -166.800731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.800731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.800731 (E_RNA)
where:
Base-Base interactions energy: -105.168
where: short stacking energy: -60.481
Base-Backbone interact. energy: -0.001
local terms energy: -61.631669
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: 0.305
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: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -98.475823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.475823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.475823 (E_RNA)
where:
Base-Base interactions energy: -52.311
where: short stacking energy: -27.584
Base-Backbone interact. energy: -0.063
local terms energy: -46.101412
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -237.467431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.467431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.467431 (E_RNA)
where:
Base-Base interactions energy: -157.822
where: short stacking energy: -75.579
Base-Backbone interact. energy: -0.008
local terms energy: -79.638242
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -216.794580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.794580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.794580 (E_RNA)
where:
Base-Base interactions energy: -142.962
where: short stacking energy: -72.969
Base-Backbone interact. energy: -0.519
local terms energy: -73.313410
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -9.953
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: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -228.390116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.390116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.390116 (E_RNA)
where:
Base-Base interactions energy: -150.450
where: short stacking energy: -75.438
Base-Backbone interact. energy: -0.005
local terms energy: -77.934936
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -198.677123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.677123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.677123 (E_RNA)
where:
Base-Base interactions energy: -132.060
where: short stacking energy: -58.691
Base-Backbone interact. energy: -0.117
local terms energy: -66.499914
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -200.273416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.273416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.273416 (E_RNA)
where:
Base-Base interactions energy: -127.513
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.378
local terms energy: -72.383255
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -12.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -170.930091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.930091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.930091 (E_RNA)
where:
Base-Base interactions energy: -111.513
where: short stacking energy: -55.245
Base-Backbone interact. energy: -0.198
local terms energy: -59.218850
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -5.586
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: 7, replica: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -179.792049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.792049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.792049 (E_RNA)
where:
Base-Base interactions energy: -119.143
where: short stacking energy: -50.077
Base-Backbone interact. energy: -0.481
local terms energy: -60.167852
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -11.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -166.569522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.569522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.569522 (E_RNA)
where:
Base-Base interactions energy: -102.811
where: short stacking energy: -49.127
Base-Backbone interact. energy: 0.190
local terms energy: -63.949370
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -10.894
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: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -107.894999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.894999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.894999 (E_RNA)
where:
Base-Base interactions energy: -46.648
where: short stacking energy: -41.821
Base-Backbone interact. energy: -0.862
local terms energy: -60.384452
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -168.776294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.776294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.776294 (E_RNA)
where:
Base-Base interactions energy: -110.944
where: short stacking energy: -54.129
Base-Backbone interact. energy: -0.075
local terms energy: -57.757646
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -233.360633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.360633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.360633 (E_RNA)
where:
Base-Base interactions energy: -153.804
where: short stacking energy: -72.121
Base-Backbone interact. energy: -0.397
local terms energy: -79.159465
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -13.002
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: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -229.545615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.545615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.545615 (E_RNA)
where:
Base-Base interactions energy: -143.019
where: short stacking energy: -67.514
Base-Backbone interact. energy: -0.172
local terms energy: -86.355145
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -216.018960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.018960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.018960 (E_RNA)
where:
Base-Base interactions energy: -142.665
where: short stacking energy: -70.130
Base-Backbone interact. energy: -0.413
local terms energy: -72.941388
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -187.098607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.098607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.098607 (E_RNA)
where:
Base-Base interactions energy: -119.211
where: short stacking energy: -65.377
Base-Backbone interact. energy: -0.001
local terms energy: -67.885942
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -208.635889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.635889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.635889 (E_RNA)
where:
Base-Base interactions energy: -140.037
where: short stacking energy: -64.298
Base-Backbone interact. energy: -0.000
local terms energy: -68.598231
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -193.433261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.433261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.433261 (E_RNA)
where:
Base-Base interactions energy: -125.935
where: short stacking energy: -57.882
Base-Backbone interact. energy: -0.593
local terms energy: -66.906074
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -162.604404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.604404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.604404 (E_RNA)
where:
Base-Base interactions energy: -102.177
where: short stacking energy: -48.313
Base-Backbone interact. energy: -0.019
local terms energy: -60.408434
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -10.668
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -179.897085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.897085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.897085 (E_RNA)
where:
Base-Base interactions energy: -107.447
where: short stacking energy: -59.038
Base-Backbone interact. energy: -0.753
local terms energy: -71.696906
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -94.415670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.415670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.415670 (E_RNA)
where:
Base-Base interactions energy: -51.833
where: short stacking energy: -27.925
Base-Backbone interact. energy: -0.135
local terms energy: -42.447729
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: 1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -159.899513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.899513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.899513 (E_RNA)
where:
Base-Base interactions energy: -107.319
where: short stacking energy: -57.908
Base-Backbone interact. energy: -0.955
local terms energy: -51.625106
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -3.807
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: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -233.123119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.123119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.123119 (E_RNA)
where:
Base-Base interactions energy: -151.240
where: short stacking energy: -73.043
Base-Backbone interact. energy: -0.630
local terms energy: -81.252924
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -11.184
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: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -229.028332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.028332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.028332 (E_RNA)
where:
Base-Base interactions energy: -151.219
where: short stacking energy: -74.126
Base-Backbone interact. energy: -0.127
local terms energy: -77.682435
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -199.957826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.957826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.957826 (E_RNA)
where:
Base-Base interactions energy: -129.672
where: short stacking energy: -65.283
Base-Backbone interact. energy: -0.002
local terms energy: -70.283977
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -214.314919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.314919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.314919 (E_RNA)
where:
Base-Base interactions energy: -139.169
where: short stacking energy: -73.054
Base-Backbone interact. energy: -0.017
local terms energy: -75.128651
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -211.700458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.700458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.700458 (E_RNA)
where:
Base-Base interactions energy: -143.010
where: short stacking energy: -76.009
Base-Backbone interact. energy: -1.019
local terms energy: -67.672322
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -202.493377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.493377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.493377 (E_RNA)
where:
Base-Base interactions energy: -129.738
where: short stacking energy: -72.825
Base-Backbone interact. energy: -0.100
local terms energy: -72.655615
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -184.003749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.003749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.003749 (E_RNA)
where:
Base-Base interactions energy: -116.610
where: short stacking energy: -61.811
Base-Backbone interact. energy: -0.183
local terms energy: -67.211024
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -14.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -161.393349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.393349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.393349 (E_RNA)
where:
Base-Base interactions energy: -108.429
where: short stacking energy: -55.985
Base-Backbone interact. energy: -0.278
local terms energy: -52.686342
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -3.978
tors. eta vs tors. theta energy: -7.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -156.270242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.270242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.270242 (E_RNA)
where:
Base-Base interactions energy: -101.631
where: short stacking energy: -50.579
Base-Backbone interact. energy: -0.423
local terms energy: -54.216406
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: -10.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -113.469816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.469816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.469816 (E_RNA)
where:
Base-Base interactions energy: -59.781
where: short stacking energy: -44.411
Base-Backbone interact. energy: 1.854
local terms energy: -55.542478
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -233.537159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.537159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.537159 (E_RNA)
where:
Base-Base interactions energy: -155.749
where: short stacking energy: -76.129
Base-Backbone interact. energy: -0.255
local terms energy: -77.533095
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -210.560371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.560371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.560371 (E_RNA)
where:
Base-Base interactions energy: -135.439
where: short stacking energy: -69.777
Base-Backbone interact. energy: -0.562
local terms energy: -74.559273
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -18.509
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: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -227.833580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.833580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.833580 (E_RNA)
where:
Base-Base interactions energy: -157.293
where: short stacking energy: -73.134
Base-Backbone interact. energy: -0.090
local terms energy: -70.450693
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -20.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -222.134367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.134367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.134367 (E_RNA)
where:
Base-Base interactions energy: -147.006
where: short stacking energy: -72.435
Base-Backbone interact. energy: -0.076
local terms energy: -75.052462
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -181.825151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.825151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.825151 (E_RNA)
where:
Base-Base interactions energy: -114.800
where: short stacking energy: -59.441
Base-Backbone interact. energy: -0.810
local terms energy: -66.216045
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -11.046
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: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -187.082100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.082100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.082100 (E_RNA)
where:
Base-Base interactions energy: -125.330
where: short stacking energy: -61.842
Base-Backbone interact. energy: -0.032
local terms energy: -61.719349
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -193.990519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.990519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.990519 (E_RNA)
where:
Base-Base interactions energy: -124.711
where: short stacking energy: -57.133
Base-Backbone interact. energy: -0.086
local terms energy: -69.194065
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -11.566
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: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -172.729658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.729658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.729658 (E_RNA)
where:
Base-Base interactions energy: -113.976
where: short stacking energy: -53.032
Base-Backbone interact. energy: -0.152
local terms energy: -58.602537
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -9.233
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -10.871
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: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -169.945879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.945879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.945879 (E_RNA)
where:
Base-Base interactions energy: -100.746
where: short stacking energy: -50.902
Base-Backbone interact. energy: -0.019
local terms energy: -69.180496
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -10.573
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: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -104.533778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.533778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.533778 (E_RNA)
where:
Base-Base interactions energy: -51.534
where: short stacking energy: -31.516
Base-Backbone interact. energy: -0.334
local terms energy: -52.665454
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -232.919070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.919070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.919070 (E_RNA)
where:
Base-Base interactions energy: -157.038
where: short stacking energy: -77.869
Base-Backbone interact. energy: -0.122
local terms energy: -75.758511
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -216.137020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.137020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.137020 (E_RNA)
where:
Base-Base interactions energy: -141.371
where: short stacking energy: -77.616
Base-Backbone interact. energy: 0.346
local terms energy: -75.112244
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -10.691
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: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -222.938131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.938131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.938131 (E_RNA)
where:
Base-Base interactions energy: -149.287
where: short stacking energy: -66.102
Base-Backbone interact. energy: 0.050
local terms energy: -73.701736
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -17.527
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: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -221.812334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.812334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.812334 (E_RNA)
where:
Base-Base interactions energy: -146.299
where: short stacking energy: -76.686
Base-Backbone interact. energy: -0.037
local terms energy: -75.476446
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -11.026
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: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -186.597630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.597630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.597630 (E_RNA)
where:
Base-Base interactions energy: -124.234
where: short stacking energy: -61.472
Base-Backbone interact. energy: -0.757
local terms energy: -61.607509
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -14.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -184.388999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.388999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.388999 (E_RNA)
where:
Base-Base interactions energy: -119.443
where: short stacking energy: -54.675
Base-Backbone interact. energy: -0.010
local terms energy: -64.936526
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -11.172
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: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -197.644813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.644813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.644813 (E_RNA)
where:
Base-Base interactions energy: -132.779
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.032
local terms energy: -64.833875
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -13.668
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: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -179.453741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.453741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.453741 (E_RNA)
where:
Base-Base interactions energy: -113.071
where: short stacking energy: -62.803
Base-Backbone interact. energy: -0.104
local terms energy: -66.278561
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -165.752736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.752736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.752736 (E_RNA)
where:
Base-Base interactions energy: -105.033
where: short stacking energy: -45.160
Base-Backbone interact. energy: -0.163
local terms energy: -60.557127
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -14.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -86.217286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.217286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.217286 (E_RNA)
where:
Base-Base interactions energy: -31.320
where: short stacking energy: -26.052
Base-Backbone interact. energy: -0.237
local terms energy: -54.659806
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -242.157049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.157049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.157049 (E_RNA)
where:
Base-Base interactions energy: -158.572
where: short stacking energy: -81.560
Base-Backbone interact. energy: -0.010
local terms energy: -83.575280
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -23.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -237.198177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.198177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.198177 (E_RNA)
where:
Base-Base interactions energy: -163.463
where: short stacking energy: -81.781
Base-Backbone interact. energy: 0.215
local terms energy: -73.950226
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -21.077
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: 271
Temperature: 1.000000
Total energy: -221.440486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.440486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.440486 (E_RNA)
where:
Base-Base interactions energy: -145.618
where: short stacking energy: -74.593
Base-Backbone interact. energy: -0.018
local terms energy: -75.804381
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -20.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -194.302580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.302580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.302580 (E_RNA)
where:
Base-Base interactions energy: -123.934
where: short stacking energy: -60.508
Base-Backbone interact. energy: -0.041
local terms energy: -70.327153
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -196.278054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.278054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.278054 (E_RNA)
where:
Base-Base interactions energy: -132.985
where: short stacking energy: -66.154
Base-Backbone interact. energy: 0.415
local terms energy: -63.707761
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -20.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -191.380924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.380924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.380924 (E_RNA)
where:
Base-Base interactions energy: -122.210
where: short stacking energy: -62.608
Base-Backbone interact. energy: -0.876
local terms energy: -68.294672
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -15.910
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: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -170.811215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.811215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.811215 (E_RNA)
where:
Base-Base interactions energy: -106.810
where: short stacking energy: -58.658
Base-Backbone interact. energy: -0.246
local terms energy: -63.755271
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -9.774
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: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -164.693201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.693201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.693201 (E_RNA)
where:
Base-Base interactions energy: -100.387
where: short stacking energy: -51.792
Base-Backbone interact. energy: 0.245
local terms energy: -64.551497
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -169.094740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.094740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.094740 (E_RNA)
where:
Base-Base interactions energy: -109.508
where: short stacking energy: -55.189
Base-Backbone interact. energy: -0.121
local terms energy: -59.466533
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -87.595785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.595785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.595785 (E_RNA)
where:
Base-Base interactions energy: -35.889
where: short stacking energy: -35.889
Base-Backbone interact. energy: -0.030
local terms energy: -51.676575
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -237.062522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.062522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.062522 (E_RNA)
where:
Base-Base interactions energy: -155.175
where: short stacking energy: -79.022
Base-Backbone interact. energy: -0.021
local terms energy: -81.866637
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -14.095
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: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -239.692098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.692098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.692098 (E_RNA)
where:
Base-Base interactions energy: -160.589
where: short stacking energy: -85.187
Base-Backbone interact. energy: -0.881
local terms energy: -78.222384
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -22.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -219.908834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.908834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.908834 (E_RNA)
where:
Base-Base interactions energy: -149.707
where: short stacking energy: -73.051
Base-Backbone interact. energy: -1.243
local terms energy: -68.959267
where:
bonds (distance) C4'-P energy: -8.755
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -202.299644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.299644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.299644 (E_RNA)
where:
Base-Base interactions energy: -132.366
where: short stacking energy: -70.422
Base-Backbone interact. energy: -0.656
local terms energy: -69.278034
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -18.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -202.758702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.758702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.758702 (E_RNA)
where:
Base-Base interactions energy: -139.070
where: short stacking energy: -62.357
Base-Backbone interact. energy: -0.525
local terms energy: -63.163330
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -10.566
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -9.154
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: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -184.125712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.125712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.125712 (E_RNA)
where:
Base-Base interactions energy: -122.387
where: short stacking energy: -57.094
Base-Backbone interact. energy: -0.349
local terms energy: -61.389300
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -179.315780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.315780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.315780 (E_RNA)
where:
Base-Base interactions energy: -117.206
where: short stacking energy: -60.638
Base-Backbone interact. energy: 0.273
local terms energy: -62.383101
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -170.298108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.298108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.298108 (E_RNA)
where:
Base-Base interactions energy: -118.803
where: short stacking energy: -58.592
Base-Backbone interact. energy: -0.345
local terms energy: -51.149956
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -13.568
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: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -170.987117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.987117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.987117 (E_RNA)
where:
Base-Base interactions energy: -109.148
where: short stacking energy: -54.536
Base-Backbone interact. energy: -0.001
local terms energy: -61.837520
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -94.239665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.239665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.239665 (E_RNA)
where:
Base-Base interactions energy: -33.682
where: short stacking energy: -33.150
Base-Backbone interact. energy: -0.005
local terms energy: -60.551914
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -10.318
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: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -240.718219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.718219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.718219 (E_RNA)
where:
Base-Base interactions energy: -158.413
where: short stacking energy: -83.380
Base-Backbone interact. energy: -0.436
local terms energy: -81.869520
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -13.890
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: 273
Temperature: 0.950000
Total energy: -229.520292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.520292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.520292 (E_RNA)
where:
Base-Base interactions energy: -152.830
where: short stacking energy: -76.937
Base-Backbone interact. energy: -0.176
local terms energy: -76.514926
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -221.372585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.372585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.372585 (E_RNA)
where:
Base-Base interactions energy: -144.530
where: short stacking energy: -75.728
Base-Backbone interact. energy: -0.006
local terms energy: -76.836044
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -18.341
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: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -217.757901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.757901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.757901 (E_RNA)
where:
Base-Base interactions energy: -143.058
where: short stacking energy: -71.811
Base-Backbone interact. energy: -0.017
local terms energy: -74.682682
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -9.161
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: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -195.609840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.609840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.609840 (E_RNA)
where:
Base-Base interactions energy: -123.480
where: short stacking energy: -69.617
Base-Backbone interact. energy: -0.001
local terms energy: -72.128038
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -12.072
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: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -188.526216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.526216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.526216 (E_RNA)
where:
Base-Base interactions energy: -116.025
where: short stacking energy: -59.874
Base-Backbone interact. energy: -0.910
local terms energy: -71.591101
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -195.602393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.602393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.602393 (E_RNA)
where:
Base-Base interactions energy: -126.771
where: short stacking energy: -68.428
Base-Backbone interact. energy: -0.236
local terms energy: -68.595764
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -5.926
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: 8, replica: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -166.477237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.477237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.477237 (E_RNA)
where:
Base-Base interactions energy: -104.128
where: short stacking energy: -43.443
Base-Backbone interact. energy: -0.047
local terms energy: -62.302263
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -10.186
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: 9, replica: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -162.533437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.533437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.533437 (E_RNA)
where:
Base-Base interactions energy: -113.789
where: short stacking energy: -48.210
Base-Backbone interact. energy: -0.058
local terms energy: -48.686520
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -3.196
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -104.038828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.038828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.038828 (E_RNA)
where:
Base-Base interactions energy: -61.201
where: short stacking energy: -38.464
Base-Backbone interact. energy: 0.055
local terms energy: -42.892556
where:
bonds (distance) C4'-P energy: -6.411
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -236.974536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.974536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.974536 (E_RNA)
where:
Base-Base interactions energy: -154.937
where: short stacking energy: -78.825
Base-Backbone interact. energy: -0.701
local terms energy: -81.336493
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -22.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -235.411909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.411909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.411909 (E_RNA)
where:
Base-Base interactions energy: -158.661
where: short stacking energy: -81.456
Base-Backbone interact. energy: -0.261
local terms energy: -76.490506
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -230.902598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.902598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.902598 (E_RNA)
where:
Base-Base interactions energy: -146.012
where: short stacking energy: -76.667
Base-Backbone interact. energy: -1.059
local terms energy: -83.831952
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -21.002
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: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -215.086959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.086959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.086959 (E_RNA)
where:
Base-Base interactions energy: -140.076
where: short stacking energy: -67.219
Base-Backbone interact. energy: -0.668
local terms energy: -74.343410
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -10.833
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: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -186.820793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.820793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.820793 (E_RNA)
where:
Base-Base interactions energy: -127.366
where: short stacking energy: -61.471
Base-Backbone interact. energy: 1.891
local terms energy: -61.346233
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -180.604338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.604338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.604338 (E_RNA)
where:
Base-Base interactions energy: -115.768
where: short stacking energy: -57.262
Base-Backbone interact. energy: -0.288
local terms energy: -64.548548
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -12.298
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: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -198.356306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.356306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.356306 (E_RNA)
where:
Base-Base interactions energy: -131.993
where: short stacking energy: -65.088
Base-Backbone interact. energy: -0.024
local terms energy: -66.339298
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -168.867427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.867427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.867427 (E_RNA)
where:
Base-Base interactions energy: -102.075
where: short stacking energy: -47.864
Base-Backbone interact. energy: -0.025
local terms energy: -66.768150
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -171.299498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.299498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.299498 (E_RNA)
where:
Base-Base interactions energy: -109.762
where: short stacking energy: -51.845
Base-Backbone interact. energy: -0.291
local terms energy: -61.246099
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -13.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -114.681865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.681865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.681865 (E_RNA)
where:
Base-Base interactions energy: -64.976
where: short stacking energy: -30.846
Base-Backbone interact. energy: -0.496
local terms energy: -49.209638
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -8.095
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -236.423266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.423266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.423266 (E_RNA)
where:
Base-Base interactions energy: -154.878
where: short stacking energy: -74.651
Base-Backbone interact. energy: -0.102
local terms energy: -81.442996
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -21.828
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: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -227.212306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.212306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.212306 (E_RNA)
where:
Base-Base interactions energy: -147.931
where: short stacking energy: -72.352
Base-Backbone interact. energy: -0.406
local terms energy: -78.875677
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -21.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -226.297924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.297924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.297924 (E_RNA)
where:
Base-Base interactions energy: -152.872
where: short stacking energy: -74.671
Base-Backbone interact. energy: -0.247
local terms energy: -73.178500
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -181.711213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.711213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.711213 (E_RNA)
where:
Base-Base interactions energy: -121.932
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.474
local terms energy: -59.305035
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -191.830310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.830310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.830310 (E_RNA)
where:
Base-Base interactions energy: -121.619
where: short stacking energy: -53.372
Base-Backbone interact. energy: -0.109
local terms energy: -70.102089
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -178.637053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.637053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.637053 (E_RNA)
where:
Base-Base interactions energy: -117.659
where: short stacking energy: -58.556
Base-Backbone interact. energy: -0.011
local terms energy: -60.966599
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -10.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -188.321185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.321185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.321185 (E_RNA)
where:
Base-Base interactions energy: -125.924
where: short stacking energy: -60.541
Base-Backbone interact. energy: -0.421
local terms energy: -61.976012
where:
bonds (distance) C4'-P energy: -8.259
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -169.612647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.612647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.612647 (E_RNA)
where:
Base-Base interactions energy: -107.639
where: short stacking energy: -52.648
Base-Backbone interact. energy: -0.450
local terms energy: -61.523760
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -170.449031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.449031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.449031 (E_RNA)
where:
Base-Base interactions energy: -113.719
where: short stacking energy: -58.313
Base-Backbone interact. energy: -0.051
local terms energy: -56.679936
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -10.152
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -5.302
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: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -80.084707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.084707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.084707 (E_RNA)
where:
Base-Base interactions energy: -31.834
where: short stacking energy: -31.175
Base-Backbone interact. energy: 1.948
local terms energy: -50.198101
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -7.809
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: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -235.901340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.901340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.901340 (E_RNA)
where:
Base-Base interactions energy: -154.640
where: short stacking energy: -77.568
Base-Backbone interact. energy: -0.328
local terms energy: -80.933332
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -21.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -226.309805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.309805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.309805 (E_RNA)
where:
Base-Base interactions energy: -150.005
where: short stacking energy: -74.743
Base-Backbone interact. energy: 0.767
local terms energy: -77.071764
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -219.854305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.854305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.854305 (E_RNA)
where:
Base-Base interactions energy: -142.797
where: short stacking energy: -70.310
Base-Backbone interact. energy: -0.009
local terms energy: -77.048359
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -17.578
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: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -202.053315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.053315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.053315 (E_RNA)
where:
Base-Base interactions energy: -131.520
where: short stacking energy: -62.766
Base-Backbone interact. energy: -0.106
local terms energy: -70.427760
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -16.408
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: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -205.162829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.162829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.162829 (E_RNA)
where:
Base-Base interactions energy: -135.178
where: short stacking energy: -70.160
Base-Backbone interact. energy: -0.037
local terms energy: -69.947980
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -196.137108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.137108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.137108 (E_RNA)
where:
Base-Base interactions energy: -128.395
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.363
local terms energy: -67.379085
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -8.952
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: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -167.882874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.882874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.882874 (E_RNA)
where:
Base-Base interactions energy: -105.056
where: short stacking energy: -49.878
Base-Backbone interact. energy: -0.237
local terms energy: -62.590164
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -168.672754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.672754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.672754 (E_RNA)
where:
Base-Base interactions energy: -108.848
where: short stacking energy: -52.290
Base-Backbone interact. energy: 0.286
local terms energy: -60.110788
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -9.471
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: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -160.672438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.672438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.672438 (E_RNA)
where:
Base-Base interactions energy: -106.990
where: short stacking energy: -49.246
Base-Backbone interact. energy: 0.923
local terms energy: -54.604882
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -3.244
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -10.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -82.055995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.055995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.055995 (E_RNA)
where:
Base-Base interactions energy: -44.400
where: short stacking energy: -28.991
Base-Backbone interact. energy: -0.210
local terms energy: -37.446785
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -8.390
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: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -237.920889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.920889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.920889 (E_RNA)
where:
Base-Base interactions energy: -158.365
where: short stacking energy: -83.461
Base-Backbone interact. energy: -0.000
local terms energy: -79.555755
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -219.745478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.745478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.745478 (E_RNA)
where:
Base-Base interactions energy: -147.108
where: short stacking energy: -76.271
Base-Backbone interact. energy: -0.002
local terms energy: -72.635612
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -223.599631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.599631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.599631 (E_RNA)
where:
Base-Base interactions energy: -151.443
where: short stacking energy: -80.494
Base-Backbone interact. energy: -0.015
local terms energy: -72.141430
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -19.423
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: 277
Temperature: 1.050000
Total energy: -216.361872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.361872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.361872 (E_RNA)
where:
Base-Base interactions energy: -142.361
where: short stacking energy: -75.252
Base-Backbone interact. energy: -0.421
local terms energy: -73.579450
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -19.765
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: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -203.781244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.781244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.781244 (E_RNA)
where:
Base-Base interactions energy: -134.485
where: short stacking energy: -72.560
Base-Backbone interact. energy: -0.107
local terms energy: -69.188633
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -188.656720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.656720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.656720 (E_RNA)
where:
Base-Base interactions energy: -129.645
where: short stacking energy: -58.391
Base-Backbone interact. energy: -0.158
local terms energy: -58.854405
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -15.355
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: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -165.229162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.229162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.229162 (E_RNA)
where:
Base-Base interactions energy: -107.876
where: short stacking energy: -54.822
Base-Backbone interact. energy: -0.576
local terms energy: -56.776922
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -8.244
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: 277
Temperature: 1.250000
Total energy: -168.555919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.555919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.555919 (E_RNA)
where:
Base-Base interactions energy: -107.035
where: short stacking energy: -56.425
Base-Backbone interact. energy: -0.008
local terms energy: -61.513096
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -14.973
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: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -169.387119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.387119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.387119 (E_RNA)
where:
Base-Base interactions energy: -115.717
where: short stacking energy: -58.618
Base-Backbone interact. energy: -0.529
local terms energy: -53.141026
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -9.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -110.331709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.331709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.331709 (E_RNA)
where:
Base-Base interactions energy: -54.124
where: short stacking energy: -28.185
Base-Backbone interact. energy: -0.841
local terms energy: -55.366954
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -7.814
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: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -219.563651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.563651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.563651 (E_RNA)
where:
Base-Base interactions energy: -142.701
where: short stacking energy: -74.549
Base-Backbone interact. energy: -0.016
local terms energy: -76.846433
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -18.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -234.453015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.453015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.453015 (E_RNA)
where:
Base-Base interactions energy: -154.590
where: short stacking energy: -79.355
Base-Backbone interact. energy: -0.006
local terms energy: -79.856493
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -215.980339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.980339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.980339 (E_RNA)
where:
Base-Base interactions energy: -137.658
where: short stacking energy: -71.571
Base-Backbone interact. energy: -0.007
local terms energy: -78.315320
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -12.681
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: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -205.640200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.640200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.640200 (E_RNA)
where:
Base-Base interactions energy: -136.765
where: short stacking energy: -69.133
Base-Backbone interact. energy: -0.033
local terms energy: -68.842114
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -203.424896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.424896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.424896 (E_RNA)
where:
Base-Base interactions energy: -131.542
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.025
local terms energy: -71.857265
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -184.048707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.048707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.048707 (E_RNA)
where:
Base-Base interactions energy: -115.527
where: short stacking energy: -64.901
Base-Backbone interact. energy: -0.070
local terms energy: -68.451338
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -12.259
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: 278
Temperature: 1.200000
Total energy: -173.470838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.470838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.470838 (E_RNA)
where:
Base-Base interactions energy: -109.561
where: short stacking energy: -58.535
Base-Backbone interact. energy: -0.152
local terms energy: -63.758528
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -14.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -163.347581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.347581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.347581 (E_RNA)
where:
Base-Base interactions energy: -105.996
where: short stacking energy: -49.701
Base-Backbone interact. energy: -0.360
local terms energy: -56.991341
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -9.096
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: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -164.094440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.094440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.094440 (E_RNA)
where:
Base-Base interactions energy: -99.616
where: short stacking energy: -45.903
Base-Backbone interact. energy: -0.051
local terms energy: -64.427536
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -104.337686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.337686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.337686 (E_RNA)
where:
Base-Base interactions energy: -63.495
where: short stacking energy: -37.669
Base-Backbone interact. energy: -0.159
local terms energy: -40.683051
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -3.809
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -222.557597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.557597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.557597 (E_RNA)
where:
Base-Base interactions energy: -145.915
where: short stacking energy: -78.885
Base-Backbone interact. energy: -0.036
local terms energy: -76.607488
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -225.024047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.024047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.024047 (E_RNA)
where:
Base-Base interactions energy: -145.339
where: short stacking energy: -75.042
Base-Backbone interact. energy: -0.041
local terms energy: -79.643805
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -21.673
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: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -237.928310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.928310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.928310 (E_RNA)
where:
Base-Base interactions energy: -157.536
where: short stacking energy: -82.332
Base-Backbone interact. energy: -0.001
local terms energy: -80.391955
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -22.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -207.884616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.884616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.884616 (E_RNA)
where:
Base-Base interactions energy: -141.659
where: short stacking energy: -74.703
Base-Backbone interact. energy: -0.009
local terms energy: -66.216143
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -16.364
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: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -195.654363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.654363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.654363 (E_RNA)
where:
Base-Base interactions energy: -131.462
where: short stacking energy: -64.351
Base-Backbone interact. energy: -0.129
local terms energy: -64.063536
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -187.663054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.663054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.663054 (E_RNA)
where:
Base-Base interactions energy: -125.533
where: short stacking energy: -55.607
Base-Backbone interact. energy: -0.062
local terms energy: -62.068485
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -14.967
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: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -200.717569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.717569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.717569 (E_RNA)
where:
Base-Base interactions energy: -125.682
where: short stacking energy: -61.091
Base-Backbone interact. energy: -0.008
local terms energy: -75.028079
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -168.948702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.948702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.948702 (E_RNA)
where:
Base-Base interactions energy: -103.233
where: short stacking energy: -57.503
Base-Backbone interact. energy: -0.012
local terms energy: -65.703754
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -162.955586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.955586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.955586 (E_RNA)
where:
Base-Base interactions energy: -104.470
where: short stacking energy: -53.303
Base-Backbone interact. energy: -0.129
local terms energy: -58.356529
where:
bonds (distance) C4'-P energy: -4.799
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -86.180506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.180506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.180506 (E_RNA)
where:
Base-Base interactions energy: -31.342
where: short stacking energy: -30.642
Base-Backbone interact. energy: -0.012
local terms energy: -54.826670
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -3.862
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: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -231.872343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.872343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.872343 (E_RNA)
where:
Base-Base interactions energy: -155.180
where: short stacking energy: -79.086
Base-Backbone interact. energy: -0.035
local terms energy: -76.656961
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -8.528
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: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -231.230546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.230546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.230546 (E_RNA)
where:
Base-Base interactions energy: -152.081
where: short stacking energy: -76.931
Base-Backbone interact. energy: -0.109
local terms energy: -79.040429
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -211.307513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.307513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.307513 (E_RNA)
where:
Base-Base interactions energy: -138.316
where: short stacking energy: -67.618
Base-Backbone interact. energy: -0.259
local terms energy: -72.731844
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -223.099455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.099455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.099455 (E_RNA)
where:
Base-Base interactions energy: -146.112
where: short stacking energy: -71.392
Base-Backbone interact. energy: -0.413
local terms energy: -76.574778
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -17.592
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: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -210.162758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.162758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.162758 (E_RNA)
where:
Base-Base interactions energy: -138.727
where: short stacking energy: -71.540
Base-Backbone interact. energy: -0.102
local terms energy: -71.334220
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -189.797162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.797162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.797162 (E_RNA)
where:
Base-Base interactions energy: -122.295
where: short stacking energy: -55.605
Base-Backbone interact. energy: -1.017
local terms energy: -66.485479
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -11.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -195.099669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.099669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.099669 (E_RNA)
where:
Base-Base interactions energy: -131.020
where: short stacking energy: -75.435
Base-Backbone interact. energy: 0.535
local terms energy: -64.614516
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -177.934384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.934384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.934384 (E_RNA)
where:
Base-Base interactions energy: -127.577
where: short stacking energy: -59.383
Base-Backbone interact. energy: -0.188
local terms energy: -50.169865
where:
bonds (distance) C4'-P energy: -1.254
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -99.561660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.561660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.561660 (E_RNA)
where:
Base-Base interactions energy: -48.426
where: short stacking energy: -34.779
Base-Backbone interact. energy: -1.057
local terms energy: -50.078809
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -152.360581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.360581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.360581 (E_RNA)
where:
Base-Base interactions energy: -96.647
where: short stacking energy: -46.431
Base-Backbone interact. energy: -0.003
local terms energy: -55.709940
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -8.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -228.643077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.643077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.643077 (E_RNA)
where:
Base-Base interactions energy: -147.853
where: short stacking energy: -73.856
Base-Backbone interact. energy: -0.031
local terms energy: -80.759108
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -23.032
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: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -215.389565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.389565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.389565 (E_RNA)
where:
Base-Base interactions energy: -139.223
where: short stacking energy: -68.879
Base-Backbone interact. energy: -0.097
local terms energy: -76.069894
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -226.354666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.354666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.354666 (E_RNA)
where:
Base-Base interactions energy: -149.503
where: short stacking energy: -81.559
Base-Backbone interact. energy: -0.632
local terms energy: -76.219840
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -196.388403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.388403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.388403 (E_RNA)
where:
Base-Base interactions energy: -126.993
where: short stacking energy: -57.113
Base-Backbone interact. energy: -0.081
local terms energy: -69.314816
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -12.591
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: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -209.922064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.922064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.922064 (E_RNA)
where:
Base-Base interactions energy: -137.785
where: short stacking energy: -67.321
Base-Backbone interact. energy: -0.637
local terms energy: -71.500207
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -19.555
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: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -201.879621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.879621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.879621 (E_RNA)
where:
Base-Base interactions energy: -136.751
where: short stacking energy: -62.130
Base-Backbone interact. energy: -0.007
local terms energy: -65.121399
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -17.873
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: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -205.814649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.814649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.814649 (E_RNA)
where:
Base-Base interactions energy: -140.325
where: short stacking energy: -68.419
Base-Backbone interact. energy: 0.208
local terms energy: -65.697927
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -18.087
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: 281
Temperature: 1.250000
Total energy: -177.686035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.686035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.686035 (E_RNA)
where:
Base-Base interactions energy: -107.390
where: short stacking energy: -53.447
Base-Backbone interact. energy: 0.194
local terms energy: -70.489978
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -10.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -83.876981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.876981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.876981 (E_RNA)
where:
Base-Base interactions energy: -35.860
where: short stacking energy: -30.858
Base-Backbone interact. energy: -0.127
local terms energy: -47.890013
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: 0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -155.952957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.952957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.952957 (E_RNA)
where:
Base-Base interactions energy: -95.986
where: short stacking energy: -50.458
Base-Backbone interact. energy: -0.007
local terms energy: -59.960335
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -10.452
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -10.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -230.126357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.126357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.126357 (E_RNA)
where:
Base-Base interactions energy: -151.308
where: short stacking energy: -75.538
Base-Backbone interact. energy: -0.217
local terms energy: -78.601267
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -19.294
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: 282
Temperature: 0.950000
Total energy: -212.931701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.931701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.931701 (E_RNA)
where:
Base-Base interactions energy: -139.944
where: short stacking energy: -71.735
Base-Backbone interact. energy: 0.640
local terms energy: -73.627564
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -19.812
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: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -219.142408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.142408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.142408 (E_RNA)
where:
Base-Base interactions energy: -143.096
where: short stacking energy: -74.656
Base-Backbone interact. energy: -0.529
local terms energy: -75.517153
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -10.014
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: 4, replica: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -203.830271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.830271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.830271 (E_RNA)
where:
Base-Base interactions energy: -137.028
where: short stacking energy: -73.370
Base-Backbone interact. energy: -0.072
local terms energy: -66.730247
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -12.064
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: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -200.333813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.333813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.333813 (E_RNA)
where:
Base-Base interactions energy: -128.233
where: short stacking energy: -71.628
Base-Backbone interact. energy: -0.001
local terms energy: -72.099647
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -200.456871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.456871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.456871 (E_RNA)
where:
Base-Base interactions energy: -135.780
where: short stacking energy: -70.144
Base-Backbone interact. energy: 0.940
local terms energy: -65.616315
where:
bonds (distance) C4'-P energy: -8.594
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -172.809402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.809402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.809402 (E_RNA)
where:
Base-Base interactions energy: -118.602
where: short stacking energy: -70.003
Base-Backbone interact. energy: -0.000
local terms energy: -54.207396
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -193.640463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.640463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.640463 (E_RNA)
where:
Base-Base interactions energy: -132.001
where: short stacking energy: -63.242
Base-Backbone interact. energy: -0.344
local terms energy: -61.294951
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -13.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -165.892924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.892924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.892924 (E_RNA)
where:
Base-Base interactions energy: -105.575
where: short stacking energy: -48.573
Base-Backbone interact. energy: -0.016
local terms energy: -60.302599
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -8.816
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -7.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -81.501875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.501875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.501875 (E_RNA)
where:
Base-Base interactions energy: -31.614
where: short stacking energy: -31.614
Base-Backbone interact. energy: 1.010
local terms energy: -50.897691
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -7.192
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: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -223.230559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.230559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.230559 (E_RNA)
where:
Base-Base interactions energy: -150.310
where: short stacking energy: -74.370
Base-Backbone interact. energy: -0.015
local terms energy: -72.905560
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -20.121
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: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -235.450943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.450943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.450943 (E_RNA)
where:
Base-Base interactions energy: -162.268
where: short stacking energy: -81.288
Base-Backbone interact. energy: -0.595
local terms energy: -72.588335
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -213.926970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.926970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.926970 (E_RNA)
where:
Base-Base interactions energy: -148.050
where: short stacking energy: -75.795
Base-Backbone interact. energy: -0.311
local terms energy: -65.566075
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -14.597
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: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -211.233762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.233762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.233762 (E_RNA)
where:
Base-Base interactions energy: -137.250
where: short stacking energy: -62.899
Base-Backbone interact. energy: -0.288
local terms energy: -73.696101
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -9.082
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: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -191.947499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.947499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.947499 (E_RNA)
where:
Base-Base interactions energy: -125.813
where: short stacking energy: -64.671
Base-Backbone interact. energy: -0.006
local terms energy: -66.128576
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -189.829049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.829049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.829049 (E_RNA)
where:
Base-Base interactions energy: -127.421
where: short stacking energy: -64.037
Base-Backbone interact. energy: 0.249
local terms energy: -62.657106
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -176.272940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.272940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.272940 (E_RNA)
where:
Base-Base interactions energy: -112.313
where: short stacking energy: -55.247
Base-Backbone interact. energy: 0.217
local terms energy: -64.176332
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -10.553
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: 8, replica: 9
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -169.276712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.276712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.276712 (E_RNA)
where:
Base-Base interactions energy: -114.319
where: short stacking energy: -60.554
Base-Backbone interact. energy: -0.105
local terms energy: -54.852603
where:
bonds (distance) C4'-P energy: -9.645
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -171.942476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.942476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.942476 (E_RNA)
where:
Base-Base interactions energy: -108.498
where: short stacking energy: -53.252
Base-Backbone interact. energy: -0.746
local terms energy: -62.698614
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -93.508112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.508112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.508112 (E_RNA)
where:
Base-Base interactions energy: -41.301
where: short stacking energy: -41.301
Base-Backbone interact. energy: -0.045
local terms energy: -52.161905
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -10.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -237.672403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.672403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.672403 (E_RNA)
where:
Base-Base interactions energy: -158.352
where: short stacking energy: -77.521
Base-Backbone interact. energy: -0.042
local terms energy: -79.278011
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -14.214
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: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -215.400904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.400904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.400904 (E_RNA)
where:
Base-Base interactions energy: -142.707
where: short stacking energy: -65.998
Base-Backbone interact. energy: -0.170
local terms energy: -72.523751
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -16.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -220.595585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.595585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.595585 (E_RNA)
where:
Base-Base interactions energy: -142.826
where: short stacking energy: -71.667
Base-Backbone interact. energy: -0.179
local terms energy: -77.590408
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -20.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -200.478102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.478102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.478102 (E_RNA)
where:
Base-Base interactions energy: -130.177
where: short stacking energy: -65.596
Base-Backbone interact. energy: 1.226
local terms energy: -71.526398
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -15.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -200.759477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.759477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.759477 (E_RNA)
where:
Base-Base interactions energy: -130.383
where: short stacking energy: -70.839
Base-Backbone interact. energy: 0.530
local terms energy: -70.906729
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -173.470285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.470285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.470285 (E_RNA)
where:
Base-Base interactions energy: -110.206
where: short stacking energy: -53.334
Base-Backbone interact. energy: -0.641
local terms energy: -62.623018
where:
bonds (distance) C4'-P energy: -9.669
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -11.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -183.124878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.124878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.124878 (E_RNA)
where:
Base-Base interactions energy: -117.882
where: short stacking energy: -56.539
Base-Backbone interact. energy: -0.020
local terms energy: -65.223195
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -169.000094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.000094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.000094 (E_RNA)
where:
Base-Base interactions energy: -107.364
where: short stacking energy: -56.929
Base-Backbone interact. energy: -0.000
local terms energy: -61.635762
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -162.480213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.480213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.480213 (E_RNA)
where:
Base-Base interactions energy: -105.699
where: short stacking energy: -48.742
Base-Backbone interact. energy: -0.026
local terms energy: -56.755922
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -10.380
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: 10, replica: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -82.509960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.509960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.509960 (E_RNA)
where:
Base-Base interactions energy: -32.340
where: short stacking energy: -32.340
Base-Backbone interact. energy: -0.347
local terms energy: -49.822460
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -7.909
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -242.890796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.890796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.890796 (E_RNA)
where:
Base-Base interactions energy: -160.882
where: short stacking energy: -80.664
Base-Backbone interact. energy: -0.603
local terms energy: -81.406055
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -23.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -225.551542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.551542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.551542 (E_RNA)
where:
Base-Base interactions energy: -146.873
where: short stacking energy: -75.229
Base-Backbone interact. energy: -0.218
local terms energy: -78.460746
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -9.542
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: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -220.375781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.375781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.375781 (E_RNA)
where:
Base-Base interactions energy: -148.624
where: short stacking energy: -69.152
Base-Backbone interact. energy: -0.002
local terms energy: -71.750077
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -206.353070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.353070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.353070 (E_RNA)
where:
Base-Base interactions energy: -138.691
where: short stacking energy: -64.891
Base-Backbone interact. energy: 0.654
local terms energy: -68.316606
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -14.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -208.101464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.101464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.101464 (E_RNA)
where:
Base-Base interactions energy: -135.408
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.003
local terms energy: -72.690154
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -187.128517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.128517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.128517 (E_RNA)
where:
Base-Base interactions energy: -115.684
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.005
local terms energy: -71.439708
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -176.789216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.789216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.789216 (E_RNA)
where:
Base-Base interactions energy: -112.357
where: short stacking energy: -56.679
Base-Backbone interact. energy: -0.906
local terms energy: -63.526228
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -10.497
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -10.524
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: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -159.470352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.470352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.470352 (E_RNA)
where:
Base-Base interactions energy: -95.194
where: short stacking energy: -42.653
Base-Backbone interact. energy: 0.006
local terms energy: -64.282060
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -11.050
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: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -164.489917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.489917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.489917 (E_RNA)
where:
Base-Base interactions energy: -108.493
where: short stacking energy: -52.515
Base-Backbone interact. energy: -0.008
local terms energy: -55.989013
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -10.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -84.744136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.744136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.744136 (E_RNA)
where:
Base-Base interactions energy: -29.177
where: short stacking energy: -29.177
Base-Backbone interact. energy: -0.137
local terms energy: -55.430708
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -7.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -231.256290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.256290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.256290 (E_RNA)
where:
Base-Base interactions energy: -144.958
where: short stacking energy: -74.489
Base-Backbone interact. energy: -0.397
local terms energy: -85.900834
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -236.800261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.800261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.800261 (E_RNA)
where:
Base-Base interactions energy: -156.774
where: short stacking energy: -85.311
Base-Backbone interact. energy: -0.211
local terms energy: -79.815268
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -203.718552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.718552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.718552 (E_RNA)
where:
Base-Base interactions energy: -127.267
where: short stacking energy: -64.171
Base-Backbone interact. energy: 1.261
local terms energy: -77.712220
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -9.653
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: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -215.823659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.823659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.823659 (E_RNA)
where:
Base-Base interactions energy: -142.195
where: short stacking energy: -70.386
Base-Backbone interact. energy: 0.359
local terms energy: -73.987322
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -211.240269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.240269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.240269 (E_RNA)
where:
Base-Base interactions energy: -136.363
where: short stacking energy: -74.238
Base-Backbone interact. energy: -3.274
local terms energy: -71.602545
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -7.115
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: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -183.444160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.444160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.444160 (E_RNA)
where:
Base-Base interactions energy: -117.006
where: short stacking energy: -57.217
Base-Backbone interact. energy: -0.909
local terms energy: -65.528522
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -172.389949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.389949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.389949 (E_RNA)
where:
Base-Base interactions energy: -107.189
where: short stacking energy: -52.652
Base-Backbone interact. energy: -0.020
local terms energy: -65.180800
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -14.792
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: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -165.129381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.129381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.129381 (E_RNA)
where:
Base-Base interactions energy: -113.212
where: short stacking energy: -43.884
Base-Backbone interact. energy: 0.355
local terms energy: -52.272333
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -3.676
tors. eta vs tors. theta energy: -11.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -167.728747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.728747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.728747 (E_RNA)
where:
Base-Base interactions energy: -109.502
where: short stacking energy: -60.502
Base-Backbone interact. energy: -0.838
local terms energy: -57.388708
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -11.005
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -14.068
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: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -91.769376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.769376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.769376 (E_RNA)
where:
Base-Base interactions energy: -47.721
where: short stacking energy: -30.191
Base-Backbone interact. energy: 2.229
local terms energy: -46.277762
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -228.425499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.425499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.425499 (E_RNA)
where:
Base-Base interactions energy: -150.506
where: short stacking energy: -81.428
Base-Backbone interact. energy: -0.028
local terms energy: -77.891508
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -218.917277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.917277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.917277 (E_RNA)
where:
Base-Base interactions energy: -146.325
where: short stacking energy: -71.938
Base-Backbone interact. energy: -0.792
local terms energy: -71.800911
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -21.081
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: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -223.956812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.956812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.956812 (E_RNA)
where:
Base-Base interactions energy: -146.554
where: short stacking energy: -74.031
Base-Backbone interact. energy: -0.439
local terms energy: -76.963661
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -207.046334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.046334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.046334 (E_RNA)
where:
Base-Base interactions energy: -133.872
where: short stacking energy: -62.649
Base-Backbone interact. energy: -0.287
local terms energy: -72.887196
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -197.349769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.349769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.349769 (E_RNA)
where:
Base-Base interactions energy: -131.981
where: short stacking energy: -66.320
Base-Backbone interact. energy: -0.031
local terms energy: -65.337461
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -17.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -178.666235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.666235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.666235 (E_RNA)
where:
Base-Base interactions energy: -111.369
where: short stacking energy: -60.684
Base-Backbone interact. energy: -0.007
local terms energy: -67.289710
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -15.364
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: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -189.921017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.921017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.921017 (E_RNA)
where:
Base-Base interactions energy: -119.735
where: short stacking energy: -64.916
Base-Backbone interact. energy: -0.002
local terms energy: -70.184025
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -8.917
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: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -170.323714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.323714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.323714 (E_RNA)
where:
Base-Base interactions energy: -108.157
where: short stacking energy: -50.970
Base-Backbone interact. energy: -1.315
local terms energy: -60.851871
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -170.703999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.703999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.703999 (E_RNA)
where:
Base-Base interactions energy: -115.799
where: short stacking energy: -52.561
Base-Backbone interact. energy: -1.638
local terms energy: -53.266957
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -80.281544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.281544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.281544 (E_RNA)
where:
Base-Base interactions energy: -27.137
where: short stacking energy: -27.137
Base-Backbone interact. energy: -0.101
local terms energy: -53.043795
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -209.703711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.703711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.703711 (E_RNA)
where:
Base-Base interactions energy: -135.905
where: short stacking energy: -76.614
Base-Backbone interact. energy: -0.628
local terms energy: -73.171464
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -18.202
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: 288
Temperature: 0.950000
Total energy: -220.005403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.005403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.005403 (E_RNA)
where:
Base-Base interactions energy: -152.027
where: short stacking energy: -80.448
Base-Backbone interact. energy: -0.586
local terms energy: -67.392283
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -6.574
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: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -225.679360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.679360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.679360 (E_RNA)
where:
Base-Base interactions energy: -146.219
where: short stacking energy: -70.252
Base-Backbone interact. energy: -0.000
local terms energy: -79.460283
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -9.752
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: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -204.450458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.450458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.450458 (E_RNA)
where:
Base-Base interactions energy: -134.623
where: short stacking energy: -64.331
Base-Backbone interact. energy: -0.106
local terms energy: -69.721041
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -189.180296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.180296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.180296 (E_RNA)
where:
Base-Base interactions energy: -120.747
where: short stacking energy: -61.547
Base-Backbone interact. energy: -0.194
local terms energy: -68.239151
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -186.643301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.643301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.643301 (E_RNA)
where:
Base-Base interactions energy: -124.582
where: short stacking energy: -50.202
Base-Backbone interact. energy: -0.079
local terms energy: -61.981535
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -170.161931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.161931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.161931 (E_RNA)
where:
Base-Base interactions energy: -106.811
where: short stacking energy: -53.862
Base-Backbone interact. energy: -0.083
local terms energy: -63.268514
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -8.106
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: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -164.006269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.006269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.006269 (E_RNA)
where:
Base-Base interactions energy: -105.453
where: short stacking energy: -58.101
Base-Backbone interact. energy: -0.007
local terms energy: -58.546286
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -4.922
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: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -164.153434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.153434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.153434 (E_RNA)
where:
Base-Base interactions energy: -103.190
where: short stacking energy: -49.813
Base-Backbone interact. energy: 0.134
local terms energy: -61.098222
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -10.505
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: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -90.779329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.779329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.779329 (E_RNA)
where:
Base-Base interactions energy: -36.968
where: short stacking energy: -27.993
Base-Backbone interact. energy: -0.121
local terms energy: -53.689635
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -3.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -202.060263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.060263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.060263 (E_RNA)
where:
Base-Base interactions energy: -123.664
where: short stacking energy: -62.191
Base-Backbone interact. energy: -1.442
local terms energy: -76.954206
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -234.188807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.188807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.188807 (E_RNA)
where:
Base-Base interactions energy: -157.760
where: short stacking energy: -83.366
Base-Backbone interact. energy: 0.037
local terms energy: -76.465925
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -224.087553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.087553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.087553 (E_RNA)
where:
Base-Base interactions energy: -150.681
where: short stacking energy: -73.078
Base-Backbone interact. energy: -0.088
local terms energy: -73.318488
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -10.961
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: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -207.780743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.780743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.780743 (E_RNA)
where:
Base-Base interactions energy: -134.503
where: short stacking energy: -75.608
Base-Backbone interact. energy: -0.022
local terms energy: -73.255613
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -194.852031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.852031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.852031 (E_RNA)
where:
Base-Base interactions energy: -126.849
where: short stacking energy: -63.458
Base-Backbone interact. energy: 0.290
local terms energy: -68.292359
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -11.025
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -17.263
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: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -193.121492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.121492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.121492 (E_RNA)
where:
Base-Base interactions energy: -122.679
where: short stacking energy: -57.370
Base-Backbone interact. energy: -0.113
local terms energy: -70.329150
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -11.086
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: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -182.821353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.821353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.821353 (E_RNA)
where:
Base-Base interactions energy: -128.886
where: short stacking energy: -62.733
Base-Backbone interact. energy: 0.214
local terms energy: -54.149327
where:
bonds (distance) C4'-P energy: -7.486
bonds (distance) P-C4' energy: -7.854
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -7.079
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: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -153.001828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.001828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.001828 (E_RNA)
where:
Base-Base interactions energy: -101.962
where: short stacking energy: -45.777
Base-Backbone interact. energy: -1.164
local terms energy: -49.875948
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -7.174
flat angles P-C4'-P energy: -5.203
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: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -165.691730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.691730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.691730 (E_RNA)
where:
Base-Base interactions energy: -105.146
where: short stacking energy: -54.875
Base-Backbone interact. energy: -0.544
local terms energy: -60.001209
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -8.637
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: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -101.895648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.895648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.895648 (E_RNA)
where:
Base-Base interactions energy: -48.416
where: short stacking energy: -48.416
Base-Backbone interact. energy: -0.154
local terms energy: -53.325517
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -231.075056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.075056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.075056 (E_RNA)
where:
Base-Base interactions energy: -156.516
where: short stacking energy: -77.454
Base-Backbone interact. energy: -0.588
local terms energy: -73.971635
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -212.911104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.911104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.911104 (E_RNA)
where:
Base-Base interactions energy: -134.518
where: short stacking energy: -65.233
Base-Backbone interact. energy: -1.706
local terms energy: -76.687888
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -20.690
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: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -233.250028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.250028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.250028 (E_RNA)
where:
Base-Base interactions energy: -147.794
where: short stacking energy: -78.379
Base-Backbone interact. energy: -0.694
local terms energy: -84.761960
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -23.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -199.783865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.783865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.783865 (E_RNA)
where:
Base-Base interactions energy: -136.357
where: short stacking energy: -62.849
Base-Backbone interact. energy: -0.274
local terms energy: -63.152635
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -7.410
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -198.112748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.112748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.112748 (E_RNA)
where:
Base-Base interactions energy: -131.807
where: short stacking energy: -65.426
Base-Backbone interact. energy: -0.000
local terms energy: -66.305255
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -17.406
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: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -177.626445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.626445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.626445 (E_RNA)
where:
Base-Base interactions energy: -110.872
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.157
local terms energy: -66.596868
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -9.750
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: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -181.910919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.910919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.910919 (E_RNA)
where:
Base-Base interactions energy: -115.502
where: short stacking energy: -63.693
Base-Backbone interact. energy: 2.203
local terms energy: -68.612370
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -13.043
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: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -168.959447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.959447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.959447 (E_RNA)
where:
Base-Base interactions energy: -112.211
where: short stacking energy: -59.626
Base-Backbone interact. energy: -1.095
local terms energy: -55.652657
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -7.545
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -11.404
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: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -86.387980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.387980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.387980 (E_RNA)
where:
Base-Base interactions energy: -40.455
where: short stacking energy: -40.455
Base-Backbone interact. energy: -0.111
local terms energy: -45.822197
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -146.711834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.711834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.711834 (E_RNA)
where:
Base-Base interactions energy: -97.811
where: short stacking energy: -43.715
Base-Backbone interact. energy: -0.290
local terms energy: -48.611267
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -7.788
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: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -234.992273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.992273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.992273 (E_RNA)
where:
Base-Base interactions energy: -153.774
where: short stacking energy: -78.460
Base-Backbone interact. energy: -0.288
local terms energy: -80.930026
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -22.342
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: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -236.683776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.683776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.683776 (E_RNA)
where:
Base-Base interactions energy: -152.999
where: short stacking energy: -81.361
Base-Backbone interact. energy: -0.867
local terms energy: -82.817901
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -21.568
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: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -208.502664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.502664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.502664 (E_RNA)
where:
Base-Base interactions energy: -136.318
where: short stacking energy: -64.695
Base-Backbone interact. energy: -0.002
local terms energy: -72.181814
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -210.559159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.559159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.559159 (E_RNA)
where:
Base-Base interactions energy: -136.953
where: short stacking energy: -72.384
Base-Backbone interact. energy: -0.352
local terms energy: -73.254200
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -10.037
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: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -201.416479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.416479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.416479 (E_RNA)
where:
Base-Base interactions energy: -130.424
where: short stacking energy: -64.926
Base-Backbone interact. energy: -0.051
local terms energy: -70.940888
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -211.805144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.805144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.805144 (E_RNA)
where:
Base-Base interactions energy: -139.307
where: short stacking energy: -64.631
Base-Backbone interact. energy: -0.158
local terms energy: -72.339898
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -179.711424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.711424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.711424 (E_RNA)
where:
Base-Base interactions energy: -120.504
where: short stacking energy: -70.154
Base-Backbone interact. energy: -0.069
local terms energy: -59.138651
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -14.060
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: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -161.597104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.597104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.597104 (E_RNA)
where:
Base-Base interactions energy: -98.162
where: short stacking energy: -48.080
Base-Backbone interact. energy: -0.091
local terms energy: -63.344264
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -90.381860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.381860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.381860 (E_RNA)
where:
Base-Base interactions energy: -33.811
where: short stacking energy: -31.950
Base-Backbone interact. energy: -0.604
local terms energy: -55.966832
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -159.819241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.819241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.819241 (E_RNA)
where:
Base-Base interactions energy: -103.044
where: short stacking energy: -52.451
Base-Backbone interact. energy: 0.908
local terms energy: -57.683451
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -11.462
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: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -234.262980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.262980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.262980 (E_RNA)
where:
Base-Base interactions energy: -156.059
where: short stacking energy: -71.024
Base-Backbone interact. energy: -0.127
local terms energy: -78.077367
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -12.255
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: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -236.749536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.749536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.749536 (E_RNA)
where:
Base-Base interactions energy: -156.769
where: short stacking energy: -79.660
Base-Backbone interact. energy: -0.007
local terms energy: -79.973526
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -12.201
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: 3, replica: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -227.699111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.699111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.699111 (E_RNA)
where:
Base-Base interactions energy: -153.013
where: short stacking energy: -77.351
Base-Backbone interact. energy: -0.079
local terms energy: -74.607040
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -20.795
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: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -211.846019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.846019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.846019 (E_RNA)
where:
Base-Base interactions energy: -141.859
where: short stacking energy: -70.116
Base-Backbone interact. energy: -0.065
local terms energy: -69.922454
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -15.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -218.626298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.626298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.626298 (E_RNA)
where:
Base-Base interactions energy: -145.563
where: short stacking energy: -72.925
Base-Backbone interact. energy: -0.077
local terms energy: -72.986032
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -20.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -194.682774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.682774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.682774 (E_RNA)
where:
Base-Base interactions energy: -126.383
where: short stacking energy: -57.738
Base-Backbone interact. energy: -0.049
local terms energy: -68.250021
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -10.766
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: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -180.889187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.889187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.889187 (E_RNA)
where:
Base-Base interactions energy: -117.629
where: short stacking energy: -62.046
Base-Backbone interact. energy: -0.022
local terms energy: -63.238469
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -14.421
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: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -170.890784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.890784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.890784 (E_RNA)
where:
Base-Base interactions energy: -108.288
where: short stacking energy: -49.106
Base-Backbone interact. energy: -0.134
local terms energy: -62.468305
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -162.159580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.159580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.159580 (E_RNA)
where:
Base-Base interactions energy: -99.946
where: short stacking energy: -48.746
Base-Backbone interact. energy: -0.039
local terms energy: -62.174000
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -9.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -87.218619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.218619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.218619 (E_RNA)
where:
Base-Base interactions energy: -33.631
where: short stacking energy: -20.407
Base-Backbone interact. energy: 0.557
local terms energy: -54.144656
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -0.917
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: 293
Temperature: 0.900000
Total energy: -238.251338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.251338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.251338 (E_RNA)
where:
Base-Base interactions energy: -161.867
where: short stacking energy: -80.932
Base-Backbone interact. energy: -0.001
local terms energy: -76.383428
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -23.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -226.873840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.873840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.873840 (E_RNA)
where:
Base-Base interactions energy: -151.332
where: short stacking energy: -78.410
Base-Backbone interact. energy: -0.008
local terms energy: -75.534707
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -223.993279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.993279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.993279 (E_RNA)
where:
Base-Base interactions energy: -148.796
where: short stacking energy: -74.779
Base-Backbone interact. energy: -0.086
local terms energy: -75.111158
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -207.808519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.808519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.808519 (E_RNA)
where:
Base-Base interactions energy: -139.217
where: short stacking energy: -67.295
Base-Backbone interact. energy: -0.065
local terms energy: -68.527336
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -17.220
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: 293
Temperature: 1.100000
Total energy: -196.938343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.938343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.938343 (E_RNA)
where:
Base-Base interactions energy: -133.033
where: short stacking energy: -64.301
Base-Backbone interact. energy: -0.002
local terms energy: -63.903319
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -195.694300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.694300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.694300 (E_RNA)
where:
Base-Base interactions energy: -131.459
where: short stacking energy: -70.550
Base-Backbone interact. energy: -0.406
local terms energy: -63.829559
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -10.659
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: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -181.554385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.554385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.554385 (E_RNA)
where:
Base-Base interactions energy: -119.061
where: short stacking energy: -67.579
Base-Backbone interact. energy: -0.205
local terms energy: -62.288377
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -8.902
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -9.842
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: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -173.626101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.626101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.626101 (E_RNA)
where:
Base-Base interactions energy: -108.714
where: short stacking energy: -55.364
Base-Backbone interact. energy: -0.096
local terms energy: -64.815732
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -165.810407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.810407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.810407 (E_RNA)
where:
Base-Base interactions energy: -104.385
where: short stacking energy: -56.120
Base-Backbone interact. energy: -0.058
local terms energy: -61.367588
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -8.603
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: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -90.403450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.403450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.403450 (E_RNA)
where:
Base-Base interactions energy: -48.349
where: short stacking energy: -39.971
Base-Backbone interact. energy: -0.238
local terms energy: -41.815739
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: 2.992
tors. eta vs tors. theta energy: -5.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -237.195694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.195694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.195694 (E_RNA)
where:
Base-Base interactions energy: -154.158
where: short stacking energy: -74.377
Base-Backbone interact. energy: -0.624
local terms energy: -82.413154
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -228.406623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.406623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.406623 (E_RNA)
where:
Base-Base interactions energy: -151.845
where: short stacking energy: -71.506
Base-Backbone interact. energy: -0.266
local terms energy: -76.295103
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -10.059
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: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -234.730348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.730348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.730348 (E_RNA)
where:
Base-Base interactions energy: -156.203
where: short stacking energy: -78.619
Base-Backbone interact. energy: -0.744
local terms energy: -77.782813
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -213.342582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.342582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.342582 (E_RNA)
where:
Base-Base interactions energy: -132.860
where: short stacking energy: -70.255
Base-Backbone interact. energy: -0.002
local terms energy: -80.480311
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -205.117696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.117696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.117696 (E_RNA)
where:
Base-Base interactions energy: -131.051
where: short stacking energy: -61.787
Base-Backbone interact. energy: -1.166
local terms energy: -72.900641
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -19.089
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: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -188.145182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.145182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.145182 (E_RNA)
where:
Base-Base interactions energy: -115.956
where: short stacking energy: -61.229
Base-Backbone interact. energy: 0.855
local terms energy: -73.043721
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -170.645550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.645550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.645550 (E_RNA)
where:
Base-Base interactions energy: -110.333
where: short stacking energy: -52.227
Base-Backbone interact. energy: 0.964
local terms energy: -61.276180
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -12.051
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: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -169.073946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.073946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.073946 (E_RNA)
where:
Base-Base interactions energy: -109.588
where: short stacking energy: -50.542
Base-Backbone interact. energy: -0.048
local terms energy: -59.437875
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -165.646932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.646932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.646932 (E_RNA)
where:
Base-Base interactions energy: -100.940
where: short stacking energy: -43.514
Base-Backbone interact. energy: 0.914
local terms energy: -65.620321
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -13.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -88.066065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.066065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.066065 (E_RNA)
where:
Base-Base interactions energy: -45.797
where: short stacking energy: -36.561
Base-Backbone interact. energy: -0.951
local terms energy: -41.317371
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -234.149373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.149373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.149373 (E_RNA)
where:
Base-Base interactions energy: -151.779
where: short stacking energy: -76.865
Base-Backbone interact. energy: -0.280
local terms energy: -82.089692
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -23.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -228.011845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.011845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.011845 (E_RNA)
where:
Base-Base interactions energy: -147.691
where: short stacking energy: -73.180
Base-Backbone interact. energy: -0.441
local terms energy: -79.879986
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -224.942619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.942619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.942619 (E_RNA)
where:
Base-Base interactions energy: -153.008
where: short stacking energy: -76.940
Base-Backbone interact. energy: -0.097
local terms energy: -71.837304
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -211.850937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.850937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.850937 (E_RNA)
where:
Base-Base interactions energy: -144.872
where: short stacking energy: -67.178
Base-Backbone interact. energy: 0.472
local terms energy: -67.451354
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -8.009
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: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -210.968162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.968162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.968162 (E_RNA)
where:
Base-Base interactions energy: -133.069
where: short stacking energy: -70.762
Base-Backbone interact. energy: -0.394
local terms energy: -77.505827
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -12.871
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: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -181.961692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.961692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.961692 (E_RNA)
where:
Base-Base interactions energy: -118.994
where: short stacking energy: -57.100
Base-Backbone interact. energy: -0.826
local terms energy: -62.141659
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -183.693002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.693002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.693002 (E_RNA)
where:
Base-Base interactions energy: -119.329
where: short stacking energy: -55.315
Base-Backbone interact. energy: 0.007
local terms energy: -64.371306
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -14.751
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: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -169.937466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.937466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.937466 (E_RNA)
where:
Base-Base interactions energy: -113.755
where: short stacking energy: -63.322
Base-Backbone interact. energy: -0.026
local terms energy: -56.156501
where:
bonds (distance) C4'-P energy: -8.038
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -13.647
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: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -159.032087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.032087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.032087 (E_RNA)
where:
Base-Base interactions energy: -103.963
where: short stacking energy: -54.694
Base-Backbone interact. energy: -0.216
local terms energy: -54.853609
where:
bonds (distance) C4'-P energy: -6.546
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -84.099197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.099197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.099197 (E_RNA)
where:
Base-Base interactions energy: -48.067
where: short stacking energy: -30.868
Base-Backbone interact. energy: -0.212
local terms energy: -35.820388
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: 0.082
tors. eta vs tors. theta energy: 1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -236.101648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.101648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.101648 (E_RNA)
where:
Base-Base interactions energy: -151.524
where: short stacking energy: -80.228
Base-Backbone interact. energy: -0.002
local terms energy: -84.576036
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -24.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -232.253680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.253680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.253680 (E_RNA)
where:
Base-Base interactions energy: -153.333
where: short stacking energy: -86.265
Base-Backbone interact. energy: -0.015
local terms energy: -78.905434
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -223.650800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.650800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.650800 (E_RNA)
where:
Base-Base interactions energy: -146.457
where: short stacking energy: -74.666
Base-Backbone interact. energy: -0.384
local terms energy: -76.810088
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -18.168
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: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -211.715138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.715138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.715138 (E_RNA)
where:
Base-Base interactions energy: -133.782
where: short stacking energy: -71.877
Base-Backbone interact. energy: 0.139
local terms energy: -78.071730
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -201.292813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.292813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.292813 (E_RNA)
where:
Base-Base interactions energy: -129.636
where: short stacking energy: -70.537
Base-Backbone interact. energy: -0.422
local terms energy: -71.234862
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -9.597
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: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -199.301766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.301766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.301766 (E_RNA)
where:
Base-Base interactions energy: -138.610
where: short stacking energy: -62.382
Base-Backbone interact. energy: -0.034
local terms energy: -60.657391
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -5.474
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: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -175.573336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.573336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.573336 (E_RNA)
where:
Base-Base interactions energy: -110.878
where: short stacking energy: -54.977
Base-Backbone interact. energy: -0.468
local terms energy: -64.227404
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -12.153
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: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -178.914612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.914612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.914612 (E_RNA)
where:
Base-Base interactions energy: -111.824
where: short stacking energy: -56.990
Base-Backbone interact. energy: 0.598
local terms energy: -67.689496
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -173.658903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.658903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.658903 (E_RNA)
where:
Base-Base interactions energy: -104.227
where: short stacking energy: -53.310
Base-Backbone interact. energy: -0.877
local terms energy: -68.555718
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -14.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -87.253442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.253442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.253442 (E_RNA)
where:
Base-Base interactions energy: -38.315
where: short stacking energy: -38.315
Base-Backbone interact. energy: -0.082
local terms energy: -48.855974
where:
bonds (distance) C4'-P energy: -4.696
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -240.415707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.415707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.415707 (E_RNA)
where:
Base-Base interactions energy: -158.713
where: short stacking energy: -79.504
Base-Backbone interact. energy: -0.001
local terms energy: -81.702123
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -21.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -235.171296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.171296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.171296 (E_RNA)
where:
Base-Base interactions energy: -159.523
where: short stacking energy: -79.599
Base-Backbone interact. energy: -0.013
local terms energy: -75.635371
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -20.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -207.408733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.408733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.408733 (E_RNA)
where:
Base-Base interactions energy: -134.695
where: short stacking energy: -70.129
Base-Backbone interact. energy: -0.402
local terms energy: -72.311588
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -205.605733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.605733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.605733 (E_RNA)
where:
Base-Base interactions energy: -136.198
where: short stacking energy: -64.469
Base-Backbone interact. energy: -0.036
local terms energy: -69.370816
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -210.968243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.968243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.968243 (E_RNA)
where:
Base-Base interactions energy: -140.189
where: short stacking energy: -72.957
Base-Backbone interact. energy: -0.173
local terms energy: -70.606367
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -187.093799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.093799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.093799 (E_RNA)
where:
Base-Base interactions energy: -121.792
where: short stacking energy: -67.956
Base-Backbone interact. energy: 0.355
local terms energy: -65.656492
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -206.191240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.191240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.191240 (E_RNA)
where:
Base-Base interactions energy: -140.614
where: short stacking energy: -69.335
Base-Backbone interact. energy: -0.113
local terms energy: -65.464635
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -17.007
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: 2
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -187.615511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.615511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.615511 (E_RNA)
where:
Base-Base interactions energy: -124.653
where: short stacking energy: -57.768
Base-Backbone interact. energy: -0.000
local terms energy: -62.961982
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -12.161
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -17.509
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: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -118.968076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.968076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.968076 (E_RNA)
where:
Base-Base interactions energy: -55.525
where: short stacking energy: -29.587
Base-Backbone interact. energy: -1.477
local terms energy: -61.965520
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -86.925725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.925725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.925725 (E_RNA)
where:
Base-Base interactions energy: -35.269
where: short stacking energy: -33.748
Base-Backbone interact. energy: -0.089
local terms energy: -51.568596
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -237.925749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.925749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.925749 (E_RNA)
where:
Base-Base interactions energy: -155.642
where: short stacking energy: -80.247
Base-Backbone interact. energy: -0.240
local terms energy: -82.044283
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -226.474954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.474954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.474954 (E_RNA)
where:
Base-Base interactions energy: -149.838
where: short stacking energy: -72.720
Base-Backbone interact. energy: -0.002
local terms energy: -76.635236
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -18.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -198.462543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.462543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.462543 (E_RNA)
where:
Base-Base interactions energy: -128.068
where: short stacking energy: -72.367
Base-Backbone interact. energy: -0.290
local terms energy: -70.104451
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -17.018
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: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -211.258193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.258193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.258193 (E_RNA)
where:
Base-Base interactions energy: -138.946
where: short stacking energy: -70.200
Base-Backbone interact. energy: -0.016
local terms energy: -72.296654
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -19.513
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: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -200.122761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.122761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.122761 (E_RNA)
where:
Base-Base interactions energy: -136.653
where: short stacking energy: -71.578
Base-Backbone interact. energy: -0.126
local terms energy: -63.344257
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -168.380385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.380385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.380385 (E_RNA)
where:
Base-Base interactions energy: -104.408
where: short stacking energy: -47.886
Base-Backbone interact. energy: -0.303
local terms energy: -63.669417
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -7.789
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: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -193.348597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.348597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.348597 (E_RNA)
where:
Base-Base interactions energy: -134.641
where: short stacking energy: -66.926
Base-Backbone interact. energy: -0.098
local terms energy: -58.609799
where:
bonds (distance) C4'-P energy: -6.598
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -17.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -178.727345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.727345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.727345 (E_RNA)
where:
Base-Base interactions energy: -117.650
where: short stacking energy: -59.476
Base-Backbone interact. energy: -0.039
local terms energy: -61.038709
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -9.296
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -9.833
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: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -102.268263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.268263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.268263 (E_RNA)
where:
Base-Base interactions energy: -40.555
where: short stacking energy: -30.087
Base-Backbone interact. energy: -0.155
local terms energy: -61.558453
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -7.225
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: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -84.881231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.881231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.881231 (E_RNA)
where:
Base-Base interactions energy: -36.717
where: short stacking energy: -31.897
Base-Backbone interact. energy: -0.183
local terms energy: -47.981056
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -9.232
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -238.600648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.600648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.600648 (E_RNA)
where:
Base-Base interactions energy: -160.114
where: short stacking energy: -82.325
Base-Backbone interact. energy: -0.006
local terms energy: -78.481049
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -19.197
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: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -227.801493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.801493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.801493 (E_RNA)
where:
Base-Base interactions energy: -146.059
where: short stacking energy: -76.603
Base-Backbone interact. energy: -0.654
local terms energy: -81.088665
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -13.410
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: 3, replica: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -193.002132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.002132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.002132 (E_RNA)
where:
Base-Base interactions energy: -124.124
where: short stacking energy: -63.129
Base-Backbone interact. energy: -0.398
local terms energy: -68.479972
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -200.554970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.554970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.554970 (E_RNA)
where:
Base-Base interactions energy: -129.848
where: short stacking energy: -68.970
Base-Backbone interact. energy: -0.417
local terms energy: -70.290483
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -17.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -207.537792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.537792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.537792 (E_RNA)
where:
Base-Base interactions energy: -138.299
where: short stacking energy: -68.580
Base-Backbone interact. energy: -0.177
local terms energy: -69.062079
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -191.064906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.064906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.064906 (E_RNA)
where:
Base-Base interactions energy: -121.281
where: short stacking energy: -65.535
Base-Backbone interact. energy: -1.692
local terms energy: -68.091159
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -16.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -178.206897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.206897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.206897 (E_RNA)
where:
Base-Base interactions energy: -112.751
where: short stacking energy: -61.548
Base-Backbone interact. energy: -0.551
local terms energy: -64.904969
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -17.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -170.260192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.260192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.260192 (E_RNA)
where:
Base-Base interactions energy: -113.614
where: short stacking energy: -59.513
Base-Backbone interact. energy: 2.330
local terms energy: -58.976832
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -82.298012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.298012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.298012 (E_RNA)
where:
Base-Base interactions energy: -35.181
where: short stacking energy: -35.181
Base-Backbone interact. energy: -0.059
local terms energy: -47.058064
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -82.712137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.712137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.712137 (E_RNA)
where:
Base-Base interactions energy: -37.767
where: short stacking energy: -27.434
Base-Backbone interact. energy: -0.207
local terms energy: -44.737762
where:
bonds (distance) C4'-P energy: -8.699
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -8.997
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: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -235.839916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.839916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.839916 (E_RNA)
where:
Base-Base interactions energy: -162.864
where: short stacking energy: -79.039
Base-Backbone interact. energy: -0.001
local terms energy: -72.975448
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -17.549
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: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -220.356634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.356634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.356634 (E_RNA)
where:
Base-Base interactions energy: -145.880
where: short stacking energy: -70.421
Base-Backbone interact. energy: -0.336
local terms energy: -74.140776
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -218.216924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.216924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.216924 (E_RNA)
where:
Base-Base interactions energy: -152.873
where: short stacking energy: -66.303
Base-Backbone interact. energy: -0.031
local terms energy: -65.312975
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -192.543502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.543502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.543502 (E_RNA)
where:
Base-Base interactions energy: -125.159
where: short stacking energy: -67.504
Base-Backbone interact. energy: -0.104
local terms energy: -67.280240
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -218.944275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.944275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.944275 (E_RNA)
where:
Base-Base interactions energy: -141.989
where: short stacking energy: -69.001
Base-Backbone interact. energy: -0.372
local terms energy: -76.582861
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -12.606
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: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -185.716953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.716953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.716953 (E_RNA)
where:
Base-Base interactions energy: -118.596
where: short stacking energy: -64.280
Base-Backbone interact. energy: -0.418
local terms energy: -66.702467
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -9.860
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: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -169.090955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.090955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.090955 (E_RNA)
where:
Base-Base interactions energy: -107.531
where: short stacking energy: -53.222
Base-Backbone interact. energy: -0.002
local terms energy: -61.557349
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -157.824540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.824540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.824540 (E_RNA)
where:
Base-Base interactions energy: -98.128
where: short stacking energy: -48.083
Base-Backbone interact. energy: -0.288
local terms energy: -59.408925
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -11.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -85.852604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.852604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.852604 (E_RNA)
where:
Base-Base interactions energy: -38.886
where: short stacking energy: -18.654
Base-Backbone interact. energy: 0.522
local terms energy: -47.488201
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -84.481476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.481476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.481476 (E_RNA)
where:
Base-Base interactions energy: -35.323
where: short stacking energy: -35.300
Base-Backbone interact. energy: 1.172
local terms energy: -50.330293
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -238.286000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.286000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.286000 (E_RNA)
where:
Base-Base interactions energy: -157.944
where: short stacking energy: -75.826
Base-Backbone interact. energy: -1.415
local terms energy: -78.927444
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -232.056040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.056040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.056040 (E_RNA)
where:
Base-Base interactions energy: -156.577
where: short stacking energy: -79.082
Base-Backbone interact. energy: -0.290
local terms energy: -75.188767
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -218.209620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.209620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.209620 (E_RNA)
where:
Base-Base interactions energy: -140.994
where: short stacking energy: -70.564
Base-Backbone interact. energy: -0.416
local terms energy: -76.799202
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -213.214310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.214310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.214310 (E_RNA)
where:
Base-Base interactions energy: -135.149
where: short stacking energy: -66.813
Base-Backbone interact. energy: 0.403
local terms energy: -78.468850
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -177.333076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.333076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.333076 (E_RNA)
where:
Base-Base interactions energy: -104.753
where: short stacking energy: -51.541
Base-Backbone interact. energy: -0.212
local terms energy: -72.368947
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -10.977
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: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -184.226872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.226872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.226872 (E_RNA)
where:
Base-Base interactions energy: -124.381
where: short stacking energy: -58.028
Base-Backbone interact. energy: -0.096
local terms energy: -59.749773
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -11.533
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: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -165.875965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.875965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.875965 (E_RNA)
where:
Base-Base interactions energy: -106.449
where: short stacking energy: -53.422
Base-Backbone interact. energy: -0.053
local terms energy: -59.374421
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -9.980
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: 301
Temperature: 1.250000
Total energy: -200.218204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.218204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.218204 (E_RNA)
where:
Base-Base interactions energy: -139.750
where: short stacking energy: -70.764
Base-Backbone interact. energy: -0.071
local terms energy: -60.396929
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -2.468
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -91.937521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.937521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.937521 (E_RNA)
where:
Base-Base interactions energy: -45.956
where: short stacking energy: -29.689
Base-Backbone interact. energy: -0.540
local terms energy: -45.441070
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: 2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -109.147221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.147221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.147221 (E_RNA)
where:
Base-Base interactions energy: -61.718
where: short stacking energy: -36.342
Base-Backbone interact. energy: -0.556
local terms energy: -46.872720
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -238.902125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.902125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.902125 (E_RNA)
where:
Base-Base interactions energy: -156.486
where: short stacking energy: -76.652
Base-Backbone interact. energy: -0.002
local terms energy: -82.413585
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -24.034
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: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -234.900129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.900129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.900129 (E_RNA)
where:
Base-Base interactions energy: -160.052
where: short stacking energy: -79.700
Base-Backbone interact. energy: -0.004
local terms energy: -74.844437
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -20.848
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: 302
Temperature: 1.000000
Total energy: -212.100677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.100677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.100677 (E_RNA)
where:
Base-Base interactions energy: -145.667
where: short stacking energy: -61.652
Base-Backbone interact. energy: -0.295
local terms energy: -66.139055
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -199.319632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.319632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.319632 (E_RNA)
where:
Base-Base interactions energy: -127.377
where: short stacking energy: -67.933
Base-Backbone interact. energy: -0.145
local terms energy: -71.798272
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -17.589
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: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -184.301458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.301458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.301458 (E_RNA)
where:
Base-Base interactions energy: -122.172
where: short stacking energy: -59.993
Base-Backbone interact. energy: -0.523
local terms energy: -61.607079
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -3.307
tors. eta vs tors. theta energy: -14.686
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: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -182.202309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.202309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.202309 (E_RNA)
where:
Base-Base interactions energy: -115.004
where: short stacking energy: -58.250
Base-Backbone interact. energy: -0.071
local terms energy: -67.126650
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -180.188341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.188341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.188341 (E_RNA)
where:
Base-Base interactions energy: -114.371
where: short stacking energy: -61.918
Base-Backbone interact. energy: -0.166
local terms energy: -65.651684
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -12.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -164.322359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.322359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.322359 (E_RNA)
where:
Base-Base interactions energy: -101.608
where: short stacking energy: -44.381
Base-Backbone interact. energy: -0.415
local terms energy: -62.299610
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -87.364955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.364955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.364955 (E_RNA)
where:
Base-Base interactions energy: -34.694
where: short stacking energy: -34.694
Base-Backbone interact. energy: -0.079
local terms energy: -52.591951
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -9.487
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -88.562553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.562553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.562553 (E_RNA)
where:
Base-Base interactions energy: -37.389
where: short stacking energy: -31.372
Base-Backbone interact. energy: -0.045
local terms energy: -51.129121
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -8.919
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -239.235535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.235535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.235535 (E_RNA)
where:
Base-Base interactions energy: -158.276
where: short stacking energy: -83.324
Base-Backbone interact. energy: 1.028
local terms energy: -81.987011
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -22.198
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: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -230.861662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.861662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.861662 (E_RNA)
where:
Base-Base interactions energy: -149.723
where: short stacking energy: -78.694
Base-Backbone interact. energy: -0.022
local terms energy: -81.116549
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -21.917
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: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -213.434571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.434571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.434571 (E_RNA)
where:
Base-Base interactions energy: -139.728
where: short stacking energy: -62.170
Base-Backbone interact. energy: 0.521
local terms energy: -74.227985
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -213.028189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.028189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.028189 (E_RNA)
where:
Base-Base interactions energy: -143.286
where: short stacking energy: -65.482
Base-Backbone interact. energy: -0.011
local terms energy: -69.731108
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -19.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -190.011265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.011265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.011265 (E_RNA)
where:
Base-Base interactions energy: -123.094
where: short stacking energy: -59.880
Base-Backbone interact. energy: -0.252
local terms energy: -66.665775
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -175.550754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.550754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.550754 (E_RNA)
where:
Base-Base interactions energy: -113.912
where: short stacking energy: -59.535
Base-Backbone interact. energy: -0.061
local terms energy: -61.577805
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -176.818230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.818230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.818230 (E_RNA)
where:
Base-Base interactions energy: -109.300
where: short stacking energy: -51.709
Base-Backbone interact. energy: -0.003
local terms energy: -67.514958
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -6.644
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: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -166.937161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.937161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.937161 (E_RNA)
where:
Base-Base interactions energy: -108.817
where: short stacking energy: -56.230
Base-Backbone interact. energy: -0.860
local terms energy: -57.260162
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -14.106
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: 303
Temperature: 1.300000
Total energy: -131.086382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.086382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.086382 (E_RNA)
where:
Base-Base interactions energy: -84.486
where: short stacking energy: -43.573
Base-Backbone interact. energy: -0.014
local terms energy: -46.586655
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -7.222
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -9.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -89.182392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.182392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.182392 (E_RNA)
where:
Base-Base interactions energy: -35.249
where: short stacking energy: -32.021
Base-Backbone interact. energy: -0.442
local terms energy: -53.491100
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -240.574168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.574168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.574168 (E_RNA)
where:
Base-Base interactions energy: -163.685
where: short stacking energy: -87.671
Base-Backbone interact. energy: -0.012
local terms energy: -76.877423
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -23.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -227.929195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.929195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.929195 (E_RNA)
where:
Base-Base interactions energy: -153.917
where: short stacking energy: -78.966
Base-Backbone interact. energy: -0.020
local terms energy: -73.992739
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -12.167
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: 3, replica: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -215.542464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.542464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.542464 (E_RNA)
where:
Base-Base interactions energy: -140.624
where: short stacking energy: -71.810
Base-Backbone interact. energy: -0.008
local terms energy: -74.911007
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -195.418295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.418295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.418295 (E_RNA)
where:
Base-Base interactions energy: -123.129
where: short stacking energy: -61.928
Base-Backbone interact. energy: -0.119
local terms energy: -72.170185
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -12.610
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: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -180.806460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.806460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.806460 (E_RNA)
where:
Base-Base interactions energy: -110.714
where: short stacking energy: -55.876
Base-Backbone interact. energy: -0.140
local terms energy: -69.952611
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -205.979082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.979082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.979082 (E_RNA)
where:
Base-Base interactions energy: -135.801
where: short stacking energy: -64.931
Base-Backbone interact. energy: -0.047
local terms energy: -70.131277
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -10.242
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: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -183.558228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.558228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.558228 (E_RNA)
where:
Base-Base interactions energy: -125.441
where: short stacking energy: -59.266
Base-Backbone interact. energy: -0.053
local terms energy: -58.064108
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -0.429
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -156.347661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.347661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.347661 (E_RNA)
where:
Base-Base interactions energy: -104.860
where: short stacking energy: -54.147
Base-Backbone interact. energy: -0.794
local terms energy: -50.694176
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: -7.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -150.623857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.623857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.623857 (E_RNA)
where:
Base-Base interactions energy: -97.069
where: short stacking energy: -52.103
Base-Backbone interact. energy: -0.000
local terms energy: -53.554814
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -92.249215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.249215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.249215 (E_RNA)
where:
Base-Base interactions energy: -41.187
where: short stacking energy: -31.283
Base-Backbone interact. energy: -0.716
local terms energy: -50.346640
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: -7.484
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: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -235.527649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.527649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.527649 (E_RNA)
where:
Base-Base interactions energy: -159.356
where: short stacking energy: -80.751
Base-Backbone interact. energy: 0.018
local terms energy: -76.189925
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -18.273
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: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -229.594328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.594328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.594328 (E_RNA)
where:
Base-Base interactions energy: -149.667
where: short stacking energy: -78.995
Base-Backbone interact. energy: -0.041
local terms energy: -79.886050
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -21.968
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: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -216.894837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.894837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.894837 (E_RNA)
where:
Base-Base interactions energy: -142.763
where: short stacking energy: -66.044
Base-Backbone interact. energy: -0.001
local terms energy: -74.131149
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -183.562590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.562590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.562590 (E_RNA)
where:
Base-Base interactions energy: -117.087
where: short stacking energy: -58.635
Base-Backbone interact. energy: -0.176
local terms energy: -66.299885
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -14.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -199.174108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.174108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.174108 (E_RNA)
where:
Base-Base interactions energy: -132.281
where: short stacking energy: -72.341
Base-Backbone interact. energy: -0.065
local terms energy: -66.828042
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -197.069270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.069270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.069270 (E_RNA)
where:
Base-Base interactions energy: -132.428
where: short stacking energy: -66.868
Base-Backbone interact. energy: -0.110
local terms energy: -64.531395
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -172.922931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.922931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.922931 (E_RNA)
where:
Base-Base interactions energy: -102.329
where: short stacking energy: -51.950
Base-Backbone interact. energy: -0.037
local terms energy: -70.556077
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -13.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -163.066138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.066138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.066138 (E_RNA)
where:
Base-Base interactions energy: -99.947
where: short stacking energy: -56.172
Base-Backbone interact. energy: 3.913
local terms energy: -67.031750
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -15.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -155.842810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.842810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.842810 (E_RNA)
where:
Base-Base interactions energy: -100.743
where: short stacking energy: -50.708
Base-Backbone interact. energy: -0.117
local terms energy: -54.982312
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -12.078
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: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -81.156600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.156600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.156600 (E_RNA)
where:
Base-Base interactions energy: -31.600
where: short stacking energy: -27.148
Base-Backbone interact. energy: -0.352
local terms energy: -49.204680
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -0.249
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: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -235.103139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.103139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.103139 (E_RNA)
where:
Base-Base interactions energy: -157.472
where: short stacking energy: -81.633
Base-Backbone interact. energy: -0.012
local terms energy: -77.619489
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -228.614389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.614389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.614389 (E_RNA)
where:
Base-Base interactions energy: -153.039
where: short stacking energy: -75.185
Base-Backbone interact. energy: -0.593
local terms energy: -74.981898
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -198.821018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.821018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.821018 (E_RNA)
where:
Base-Base interactions energy: -121.952
where: short stacking energy: -69.038
Base-Backbone interact. energy: -0.001
local terms energy: -76.867758
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -217.968369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.968369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.968369 (E_RNA)
where:
Base-Base interactions energy: -141.369
where: short stacking energy: -73.640
Base-Backbone interact. energy: -0.006
local terms energy: -76.593284
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -18.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -180.026829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.026829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.026829 (E_RNA)
where:
Base-Base interactions energy: -115.404
where: short stacking energy: -60.383
Base-Backbone interact. energy: -0.048
local terms energy: -64.574589
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -183.835479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.835479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.835479 (E_RNA)
where:
Base-Base interactions energy: -120.190
where: short stacking energy: -67.160
Base-Backbone interact. energy: -0.070
local terms energy: -63.575019
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -175.844521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.844521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.844521 (E_RNA)
where:
Base-Base interactions energy: -116.117
where: short stacking energy: -60.294
Base-Backbone interact. energy: -0.013
local terms energy: -59.713728
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -13.695
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: 306
Temperature: 1.250000
Total energy: -171.198281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.198281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.198281 (E_RNA)
where:
Base-Base interactions energy: -108.332
where: short stacking energy: -60.292
Base-Backbone interact. energy: -0.135
local terms energy: -62.731592
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -16.031
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: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -158.756408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.756408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.756408 (E_RNA)
where:
Base-Base interactions energy: -95.046
where: short stacking energy: -49.025
Base-Backbone interact. energy: -0.547
local terms energy: -63.163521
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -8.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -83.119095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.119095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.119095 (E_RNA)
where:
Base-Base interactions energy: -42.987
where: short stacking energy: -42.142
Base-Backbone interact. energy: -0.058
local terms energy: -40.073744
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -7.848
flat angles C4'-P-C4' energy: -4.399
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -238.648624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.648624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.648624 (E_RNA)
where:
Base-Base interactions energy: -159.614
where: short stacking energy: -80.828
Base-Backbone interact. energy: -0.655
local terms energy: -78.380536
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -235.085796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.085796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.085796 (E_RNA)
where:
Base-Base interactions energy: -158.044
where: short stacking energy: -82.098
Base-Backbone interact. energy: -0.359
local terms energy: -76.683305
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -205.597580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.597580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.597580 (E_RNA)
where:
Base-Base interactions energy: -131.504
where: short stacking energy: -59.144
Base-Backbone interact. energy: -0.630
local terms energy: -73.464037
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -8.905
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: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -211.999868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.999868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.999868 (E_RNA)
where:
Base-Base interactions energy: -137.370
where: short stacking energy: -68.544
Base-Backbone interact. energy: -0.497
local terms energy: -74.132983
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -180.842105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.842105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.842105 (E_RNA)
where:
Base-Base interactions energy: -112.206
where: short stacking energy: -51.922
Base-Backbone interact. energy: 2.594
local terms energy: -71.229668
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -11.859
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: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -189.391730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.391730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.391730 (E_RNA)
where:
Base-Base interactions energy: -117.009
where: short stacking energy: -60.080
Base-Backbone interact. energy: -0.274
local terms energy: -72.108867
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -11.830
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: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -168.592263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.592263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.592263 (E_RNA)
where:
Base-Base interactions energy: -105.233
where: short stacking energy: -49.675
Base-Backbone interact. energy: -0.170
local terms energy: -63.189632
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -9.275
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: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -166.248880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.248880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.248880 (E_RNA)
where:
Base-Base interactions energy: -113.314
where: short stacking energy: -53.712
Base-Backbone interact. energy: -0.062
local terms energy: -52.872938
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -10.126
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -10.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -136.996966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.996966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.996966 (E_RNA)
where:
Base-Base interactions energy: -82.106
where: short stacking energy: -38.720
Base-Backbone interact. energy: -0.327
local terms energy: -54.563361
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -87.722393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.722393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.722393 (E_RNA)
where:
Base-Base interactions energy: -46.737
where: short stacking energy: -46.353
Base-Backbone interact. energy: -0.094
local terms energy: -40.891618
where:
bonds (distance) C4'-P energy: -4.721
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: 0.725
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: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -234.568852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.568852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.568852 (E_RNA)
where:
Base-Base interactions energy: -153.291
where: short stacking energy: -73.373
Base-Backbone interact. energy: -0.519
local terms energy: -80.758787
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -240.017732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.017732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.017732 (E_RNA)
where:
Base-Base interactions energy: -154.919
where: short stacking energy: -77.647
Base-Backbone interact. energy: -0.331
local terms energy: -84.767173
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -189.203713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.203713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.203713 (E_RNA)
where:
Base-Base interactions energy: -121.151
where: short stacking energy: -55.178
Base-Backbone interact. energy: -0.120
local terms energy: -67.932870
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -13.168
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: 4, replica: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -198.343353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.343353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.343353 (E_RNA)
where:
Base-Base interactions energy: -124.723
where: short stacking energy: -71.931
Base-Backbone interact. energy: -0.545
local terms energy: -73.075740
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -17.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -211.706039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.706039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.706039 (E_RNA)
where:
Base-Base interactions energy: -138.746
where: short stacking energy: -75.069
Base-Backbone interact. energy: -0.003
local terms energy: -72.957336
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -20.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -175.959005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.959005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.959005 (E_RNA)
where:
Base-Base interactions energy: -113.323
where: short stacking energy: -56.518
Base-Backbone interact. energy: 0.267
local terms energy: -62.902158
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -10.445
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: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -185.418691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.418691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.418691 (E_RNA)
where:
Base-Base interactions energy: -124.738
where: short stacking energy: -60.914
Base-Backbone interact. energy: -0.141
local terms energy: -60.538813
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -11.180
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: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -160.481509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.481509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.481509 (E_RNA)
where:
Base-Base interactions energy: -104.434
where: short stacking energy: -48.887
Base-Backbone interact. energy: -0.021
local terms energy: -56.026284
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -7.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -149.008252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.008252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.008252 (E_RNA)
where:
Base-Base interactions energy: -100.816
where: short stacking energy: -46.551
Base-Backbone interact. energy: -0.327
local terms energy: -47.865187
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -5.703
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -79.558490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.558490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.558490 (E_RNA)
where:
Base-Base interactions energy: -42.078
where: short stacking energy: -32.103
Base-Backbone interact. energy: 0.320
local terms energy: -37.800163
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -3.578
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -235.683879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.683879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.683879 (E_RNA)
where:
Base-Base interactions energy: -155.143
where: short stacking energy: -76.660
Base-Backbone interact. energy: -0.264
local terms energy: -80.277019
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -198.134114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.134114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.134114 (E_RNA)
where:
Base-Base interactions energy: -128.790
where: short stacking energy: -68.211
Base-Backbone interact. energy: -0.003
local terms energy: -69.341016
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -16.018
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: 309
Temperature: 1.000000
Total energy: -233.510198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.510198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.510198 (E_RNA)
where:
Base-Base interactions energy: -154.407
where: short stacking energy: -79.399
Base-Backbone interact. energy: -0.004
local terms energy: -79.099224
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -209.680799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.680799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.680799 (E_RNA)
where:
Base-Base interactions energy: -137.828
where: short stacking energy: -64.839
Base-Backbone interact. energy: -0.365
local terms energy: -71.487899
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -188.639391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.639391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.639391 (E_RNA)
where:
Base-Base interactions energy: -117.805
where: short stacking energy: -61.900
Base-Backbone interact. energy: -0.479
local terms energy: -70.355302
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -178.377591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.377591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.377591 (E_RNA)
where:
Base-Base interactions energy: -109.700
where: short stacking energy: -48.647
Base-Backbone interact. energy: -0.158
local terms energy: -68.518774
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -13.526
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: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -164.772340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.772340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.772340 (E_RNA)
where:
Base-Base interactions energy: -100.170
where: short stacking energy: -53.546
Base-Backbone interact. energy: -1.132
local terms energy: -63.469623
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -9.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -129.774084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.774084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.774084 (E_RNA)
where:
Base-Base interactions energy: -83.327
where: short stacking energy: -40.667
Base-Backbone interact. energy: -0.840
local terms energy: -45.606549
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -0.444
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: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -162.482467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.482467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.482467 (E_RNA)
where:
Base-Base interactions energy: -105.291
where: short stacking energy: -47.934
Base-Backbone interact. energy: -0.401
local terms energy: -56.790859
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -9.515
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: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -80.972134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.972134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.972134 (E_RNA)
where:
Base-Base interactions energy: -33.145
where: short stacking energy: -33.145
Base-Backbone interact. energy: -0.071
local terms energy: -47.755932
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -238.365216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.365216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.365216 (E_RNA)
where:
Base-Base interactions energy: -161.774
where: short stacking energy: -79.751
Base-Backbone interact. energy: -0.102
local terms energy: -76.489236
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -202.972395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.972395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.972395 (E_RNA)
where:
Base-Base interactions energy: -128.403
where: short stacking energy: -70.648
Base-Backbone interact. energy: -0.389
local terms energy: -74.180859
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -8.715
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: 3, replica: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -233.025929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.025929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.025929 (E_RNA)
where:
Base-Base interactions energy: -153.540
where: short stacking energy: -83.850
Base-Backbone interact. energy: -0.000
local terms energy: -79.486104
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -22.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -192.109910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.109910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.109910 (E_RNA)
where:
Base-Base interactions energy: -126.000
where: short stacking energy: -69.901
Base-Backbone interact. energy: -0.015
local terms energy: -66.094985
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.607
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: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -195.590502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.590502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.590502 (E_RNA)
where:
Base-Base interactions energy: -125.016
where: short stacking energy: -63.705
Base-Backbone interact. energy: -1.203
local terms energy: -69.371662
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -175.391488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.391488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.391488 (E_RNA)
where:
Base-Base interactions energy: -115.636
where: short stacking energy: -56.567
Base-Backbone interact. energy: -0.226
local terms energy: -59.529046
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -10.392
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: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -173.504302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.504302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.504302 (E_RNA)
where:
Base-Base interactions energy: -117.833
where: short stacking energy: -59.205
Base-Backbone interact. energy: -0.191
local terms energy: -55.479973
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -12.036
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: 310
Temperature: 1.250000
Total energy: -148.348845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.348845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.348845 (E_RNA)
where:
Base-Base interactions energy: -88.855
where: short stacking energy: -46.363
Base-Backbone interact. energy: -0.054
local terms energy: -59.439172
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -10.780
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: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -163.507289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.507289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.507289 (E_RNA)
where:
Base-Base interactions energy: -103.378
where: short stacking energy: -48.933
Base-Backbone interact. energy: 0.745
local terms energy: -60.874499
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -6.657
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: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -112.013557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.013557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.013557 (E_RNA)
where:
Base-Base interactions energy: -70.876
where: short stacking energy: -42.329
Base-Backbone interact. energy: -1.165
local terms energy: -39.972878
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -6.644
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -1.469
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -234.082045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.082045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.082045 (E_RNA)
where:
Base-Base interactions energy: -157.056
where: short stacking energy: -74.200
Base-Backbone interact. energy: -0.099
local terms energy: -76.926950
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -237.466202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.466202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.466202 (E_RNA)
where:
Base-Base interactions energy: -161.148
where: short stacking energy: -78.292
Base-Backbone interact. energy: -0.245
local terms energy: -76.073064
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -21.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -198.410295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.410295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.410295 (E_RNA)
where:
Base-Base interactions energy: -126.854
where: short stacking energy: -71.078
Base-Backbone interact. energy: -0.022
local terms energy: -71.534730
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -9.737
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -10.934
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: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -192.043090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.043090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.043090 (E_RNA)
where:
Base-Base interactions energy: -122.843
where: short stacking energy: -64.783
Base-Backbone interact. energy: 0.103
local terms energy: -69.302195
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -12.864
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: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -184.175861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.175861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.175861 (E_RNA)
where:
Base-Base interactions energy: -119.353
where: short stacking energy: -59.046
Base-Backbone interact. energy: -0.062
local terms energy: -64.761079
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -4.360
tors. eta vs tors. theta energy: -11.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -176.892402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.892402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.892402 (E_RNA)
where:
Base-Base interactions energy: -108.979
where: short stacking energy: -55.381
Base-Backbone interact. energy: -0.815
local terms energy: -67.098141
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -172.415401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.415401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.415401 (E_RNA)
where:
Base-Base interactions energy: -105.454
where: short stacking energy: -53.875
Base-Backbone interact. energy: -0.970
local terms energy: -65.991571
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -12.351
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: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -171.584791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.584791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.584791 (E_RNA)
where:
Base-Base interactions energy: -103.322
where: short stacking energy: -48.410
Base-Backbone interact. energy: -0.439
local terms energy: -67.823609
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -154.157336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.157336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.157336 (E_RNA)
where:
Base-Base interactions energy: -95.128
where: short stacking energy: -46.261
Base-Backbone interact. energy: 2.517
local terms energy: -61.545958
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -10.406
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: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -104.495837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.495837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.495837 (E_RNA)
where:
Base-Base interactions energy: -53.423
where: short stacking energy: -26.997
Base-Backbone interact. energy: -0.395
local terms energy: -50.677975
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -240.328840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.328840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.328840 (E_RNA)
where:
Base-Base interactions energy: -158.932
where: short stacking energy: -77.716
Base-Backbone interact. energy: -0.002
local terms energy: -81.394720
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -23.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -230.841481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.841481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.841481 (E_RNA)
where:
Base-Base interactions energy: -152.589
where: short stacking energy: -79.596
Base-Backbone interact. energy: -0.015
local terms energy: -78.237518
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -194.266943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.266943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.266943 (E_RNA)
where:
Base-Base interactions energy: -123.173
where: short stacking energy: -67.646
Base-Backbone interact. energy: -0.175
local terms energy: -70.919533
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -195.680092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.680092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.680092 (E_RNA)
where:
Base-Base interactions energy: -123.854
where: short stacking energy: -68.506
Base-Backbone interact. energy: -0.167
local terms energy: -71.659986
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -14.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -187.204787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.204787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.204787 (E_RNA)
where:
Base-Base interactions energy: -115.686
where: short stacking energy: -64.355
Base-Backbone interact. energy: -0.002
local terms energy: -71.516914
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -190.999545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.999545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.999545 (E_RNA)
where:
Base-Base interactions energy: -127.050
where: short stacking energy: -67.366
Base-Backbone interact. energy: -0.109
local terms energy: -63.840323
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -9.289
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: 7, replica: 7
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -166.676128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.676128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.676128 (E_RNA)
where:
Base-Base interactions energy: -106.205
where: short stacking energy: -52.421
Base-Backbone interact. energy: -0.123
local terms energy: -60.348668
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -9.116
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: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -165.693324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.693324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.693324 (E_RNA)
where:
Base-Base interactions energy: -107.937
where: short stacking energy: -56.584
Base-Backbone interact. energy: -0.114
local terms energy: -57.642010
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -11.026
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: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -148.970528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.970528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.970528 (E_RNA)
where:
Base-Base interactions energy: -91.974
where: short stacking energy: -48.487
Base-Backbone interact. energy: -0.373
local terms energy: -56.623555
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -4.995
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: 312
Temperature: 1.350000
Total energy: -165.336349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.336349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.336349 (E_RNA)
where:
Base-Base interactions energy: -99.935
where: short stacking energy: -48.019
Base-Backbone interact. energy: -2.514
local terms energy: -62.886996
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -10.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -237.376960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.376960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.376960 (E_RNA)
where:
Base-Base interactions energy: -153.602
where: short stacking energy: -79.290
Base-Backbone interact. energy: -0.594
local terms energy: -83.181205
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -13.150
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: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -232.758479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.758479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.758479 (E_RNA)
where:
Base-Base interactions energy: -153.520
where: short stacking energy: -80.751
Base-Backbone interact. energy: -0.000
local terms energy: -79.238100
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -192.615186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.615186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.615186 (E_RNA)
where:
Base-Base interactions energy: -123.316
where: short stacking energy: -57.287
Base-Backbone interact. energy: -0.084
local terms energy: -69.214390
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -14.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -212.262799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.262799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.262799 (E_RNA)
where:
Base-Base interactions energy: -143.852
where: short stacking energy: -66.704
Base-Backbone interact. energy: -0.009
local terms energy: -68.402217
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -186.075530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.075530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.075530 (E_RNA)
where:
Base-Base interactions energy: -123.590
where: short stacking energy: -58.763
Base-Backbone interact. energy: 4.139
local terms energy: -66.624074
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -16.288
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: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -178.335406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.335406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.335406 (E_RNA)
where:
Base-Base interactions energy: -120.063
where: short stacking energy: -67.580
Base-Backbone interact. energy: -0.019
local terms energy: -58.254185
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -7.179
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -178.190393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.190393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.190393 (E_RNA)
where:
Base-Base interactions energy: -114.267
where: short stacking energy: -67.718
Base-Backbone interact. energy: -0.492
local terms energy: -63.430935
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -15.675
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: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -162.970529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.970529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.970529 (E_RNA)
where:
Base-Base interactions energy: -104.355
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.103
local terms energy: -58.512501
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -138.233918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.233918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.233918 (E_RNA)
where:
Base-Base interactions energy: -85.935
where: short stacking energy: -47.926
Base-Backbone interact. energy: -0.216
local terms energy: -52.083056
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -157.249374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.249374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.249374 (E_RNA)
where:
Base-Base interactions energy: -102.042
where: short stacking energy: -46.785
Base-Backbone interact. energy: 0.783
local terms energy: -55.989798
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -237.305580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.305580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.305580 (E_RNA)
where:
Base-Base interactions energy: -156.263
where: short stacking energy: -79.381
Base-Backbone interact. energy: -0.298
local terms energy: -80.744131
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -19.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -211.144415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.144415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.144415 (E_RNA)
where:
Base-Base interactions energy: -128.677
where: short stacking energy: -64.415
Base-Backbone interact. energy: -0.402
local terms energy: -82.065524
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -215.714073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.714073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.714073 (E_RNA)
where:
Base-Base interactions energy: -139.462
where: short stacking energy: -69.993
Base-Backbone interact. energy: -0.111
local terms energy: -76.140171
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -212.329901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.329901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.329901 (E_RNA)
where:
Base-Base interactions energy: -141.687
where: short stacking energy: -68.423
Base-Backbone interact. energy: -0.133
local terms energy: -70.509325
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -18.633
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: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -185.778821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.778821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.778821 (E_RNA)
where:
Base-Base interactions energy: -120.961
where: short stacking energy: -67.467
Base-Backbone interact. energy: -0.962
local terms energy: -63.855296
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -183.594262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.594262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.594262 (E_RNA)
where:
Base-Base interactions energy: -118.486
where: short stacking energy: -54.062
Base-Backbone interact. energy: 0.178
local terms energy: -65.285807
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -176.503908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.503908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.503908 (E_RNA)
where:
Base-Base interactions energy: -116.168
where: short stacking energy: -58.150
Base-Backbone interact. energy: 0.263
local terms energy: -60.599090
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -13.781
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: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -166.924234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.924234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.924234 (E_RNA)
where:
Base-Base interactions energy: -114.410
where: short stacking energy: -59.297
Base-Backbone interact. energy: -0.080
local terms energy: -52.433470
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -157.003397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.003397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.003397 (E_RNA)
where:
Base-Base interactions energy: -107.196
where: short stacking energy: -51.706
Base-Backbone interact. energy: -0.230
local terms energy: -49.576685
where:
bonds (distance) C4'-P energy: -7.367
bonds (distance) P-C4' energy: -8.054
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -12.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -78.247362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.247362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.247362 (E_RNA)
where:
Base-Base interactions energy: -33.510
where: short stacking energy: -33.510
Base-Backbone interact. energy: -0.138
local terms energy: -44.600168
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -8.159
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: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -234.885986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.885986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.885986 (E_RNA)
where:
Base-Base interactions energy: -153.772
where: short stacking energy: -80.844
Base-Backbone interact. energy: 0.322
local terms energy: -81.436051
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -221.623709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.623709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.623709 (E_RNA)
where:
Base-Base interactions energy: -149.760
where: short stacking energy: -73.847
Base-Backbone interact. energy: -0.295
local terms energy: -71.569540
where:
bonds (distance) C4'-P energy: -7.854
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -11.783
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: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -227.911266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.911266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.911266 (E_RNA)
where:
Base-Base interactions energy: -148.968
where: short stacking energy: -77.860
Base-Backbone interact. energy: -0.002
local terms energy: -78.941911
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -189.948892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.948892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.948892 (E_RNA)
where:
Base-Base interactions energy: -116.069
where: short stacking energy: -65.702
Base-Backbone interact. energy: -0.009
local terms energy: -73.871053
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -209.367493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.367493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.367493 (E_RNA)
where:
Base-Base interactions energy: -137.766
where: short stacking energy: -62.033
Base-Backbone interact. energy: -0.260
local terms energy: -71.342155
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -17.264
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: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -174.581065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.581065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.581065 (E_RNA)
where:
Base-Base interactions energy: -110.237
where: short stacking energy: -56.515
Base-Backbone interact. energy: -0.114
local terms energy: -64.230197
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -8.525
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: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -185.432103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.432103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.432103 (E_RNA)
where:
Base-Base interactions energy: -134.620
where: short stacking energy: -69.802
Base-Backbone interact. energy: -0.109
local terms energy: -50.703383
where:
bonds (distance) C4'-P energy: -3.666
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: -6.977
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: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -151.764495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.764495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.764495 (E_RNA)
where:
Base-Base interactions energy: -90.570
where: short stacking energy: -42.682
Base-Backbone interact. energy: -0.013
local terms energy: -61.181700
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -11.832
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: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -153.421737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.421737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.421737 (E_RNA)
where:
Base-Base interactions energy: -94.305
where: short stacking energy: -42.703
Base-Backbone interact. energy: -0.398
local terms energy: -58.718622
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -88.852221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.852221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.852221 (E_RNA)
where:
Base-Base interactions energy: -43.021
where: short stacking energy: -41.323
Base-Backbone interact. energy: 0.920
local terms energy: -46.751398
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -5.723
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: 316
Temperature: 0.900000
Total energy: -225.591093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.591093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.591093 (E_RNA)
where:
Base-Base interactions energy: -152.237
where: short stacking energy: -78.582
Base-Backbone interact. energy: -0.051
local terms energy: -73.302689
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -6.725
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: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -231.168972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.168972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.168972 (E_RNA)
where:
Base-Base interactions energy: -153.454
where: short stacking energy: -71.435
Base-Backbone interact. energy: -0.485
local terms energy: -77.229116
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -18.997
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: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -197.189353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.189353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.189353 (E_RNA)
where:
Base-Base interactions energy: -121.069
where: short stacking energy: -64.739
Base-Backbone interact. energy: -0.400
local terms energy: -75.720370
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -221.928376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.928376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.928376 (E_RNA)
where:
Base-Base interactions energy: -146.985
where: short stacking energy: -66.559
Base-Backbone interact. energy: -0.656
local terms energy: -74.287493
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -204.772455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.772455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.772455 (E_RNA)
where:
Base-Base interactions energy: -139.768
where: short stacking energy: -62.544
Base-Backbone interact. energy: -0.683
local terms energy: -64.321740
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -13.979
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: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -175.862597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.862597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.862597 (E_RNA)
where:
Base-Base interactions energy: -114.714
where: short stacking energy: -60.549
Base-Backbone interact. energy: -0.971
local terms energy: -60.177810
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -10.197
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -160.048374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.048374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.048374 (E_RNA)
where:
Base-Base interactions energy: -102.928
where: short stacking energy: -48.520
Base-Backbone interact. energy: -0.138
local terms energy: -56.982736
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -8.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -162.899176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.899176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.899176 (E_RNA)
where:
Base-Base interactions energy: -107.065
where: short stacking energy: -56.323
Base-Backbone interact. energy: 1.007
local terms energy: -56.840802
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -1.576
tors. eta vs tors. theta energy: -14.228
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: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -173.323705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.323705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.323705 (E_RNA)
where:
Base-Base interactions energy: -111.863
where: short stacking energy: -58.999
Base-Backbone interact. energy: -0.002
local terms energy: -61.459522
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -12.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -86.921950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.921950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.921950 (E_RNA)
where:
Base-Base interactions energy: -31.140
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.067
local terms energy: -55.714100
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -220.978080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.978080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.978080 (E_RNA)
where:
Base-Base interactions energy: -142.208
where: short stacking energy: -70.708
Base-Backbone interact. energy: -0.255
local terms energy: -78.515287
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -18.931
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: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -234.748363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.748363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.748363 (E_RNA)
where:
Base-Base interactions energy: -158.558
where: short stacking energy: -75.377
Base-Backbone interact. energy: -0.308
local terms energy: -75.882053
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -21.473
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: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -193.230832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.230832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.230832 (E_RNA)
where:
Base-Base interactions energy: -128.230
where: short stacking energy: -68.077
Base-Backbone interact. energy: -0.033
local terms energy: -64.967929
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -9.189
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: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -219.527682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.527682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.527682 (E_RNA)
where:
Base-Base interactions energy: -144.683
where: short stacking energy: -81.665
Base-Backbone interact. energy: -0.015
local terms energy: -74.829575
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -12.692
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: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -204.480282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.480282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.480282 (E_RNA)
where:
Base-Base interactions energy: -130.544
where: short stacking energy: -62.238
Base-Backbone interact. energy: -0.301
local terms energy: -73.635512
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -9.913
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: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -189.056115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.056115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.056115 (E_RNA)
where:
Base-Base interactions energy: -132.213
where: short stacking energy: -61.037
Base-Backbone interact. energy: -0.509
local terms energy: -56.334464
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -3.682
tors. eta vs tors. theta energy: -15.455
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: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -167.687228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.687228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.687228 (E_RNA)
where:
Base-Base interactions energy: -109.788
where: short stacking energy: -49.886
Base-Backbone interact. energy: -0.111
local terms energy: -57.788095
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -10.087
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: 317
Temperature: 1.250000
Total energy: -180.158361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.158361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.158361 (E_RNA)
where:
Base-Base interactions energy: -110.724
where: short stacking energy: -56.645
Base-Backbone interact. energy: -0.214
local terms energy: -69.220495
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -8.999
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: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -170.902285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.902285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.902285 (E_RNA)
where:
Base-Base interactions energy: -109.138
where: short stacking energy: -55.788
Base-Backbone interact. energy: -0.484
local terms energy: -61.280151
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -10.311
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: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -86.754397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.754397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.754397 (E_RNA)
where:
Base-Base interactions energy: -36.523
where: short stacking energy: -36.523
Base-Backbone interact. energy: -0.020
local terms energy: -50.211642
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -7.917
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -234.402257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.402257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.402257 (E_RNA)
where:
Base-Base interactions energy: -155.130
where: short stacking energy: -74.320
Base-Backbone interact. energy: -0.003
local terms energy: -79.269165
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -224.265393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.265393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.265393 (E_RNA)
where:
Base-Base interactions energy: -146.654
where: short stacking energy: -72.408
Base-Backbone interact. energy: -0.333
local terms energy: -77.278534
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -21.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -201.181326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.181326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.181326 (E_RNA)
where:
Base-Base interactions energy: -128.552
where: short stacking energy: -70.860
Base-Backbone interact. energy: -0.008
local terms energy: -72.621153
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -188.551590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.551590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.551590 (E_RNA)
where:
Base-Base interactions energy: -117.564
where: short stacking energy: -64.651
Base-Backbone interact. energy: -0.042
local terms energy: -70.945600
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -17.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -204.114836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.114836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.114836 (E_RNA)
where:
Base-Base interactions energy: -133.530
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.233
local terms energy: -70.351367
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -203.758953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.758953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.758953 (E_RNA)
where:
Base-Base interactions energy: -131.258
where: short stacking energy: -67.050
Base-Backbone interact. energy: -0.784
local terms energy: -71.716037
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -11.492
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: 7, replica: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -191.202431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.202431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.202431 (E_RNA)
where:
Base-Base interactions energy: -129.965
where: short stacking energy: -61.984
Base-Backbone interact. energy: -0.007
local terms energy: -61.230477
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -171.383659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.383659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.383659 (E_RNA)
where:
Base-Base interactions energy: -103.482
where: short stacking energy: -56.208
Base-Backbone interact. energy: -0.099
local terms energy: -67.802404
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -14.024
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: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -160.153793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.153793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.153793 (E_RNA)
where:
Base-Base interactions energy: -100.200
where: short stacking energy: -48.446
Base-Backbone interact. energy: -0.193
local terms energy: -59.760823
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -11.091
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: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -79.880240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.880240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.880240 (E_RNA)
where:
Base-Base interactions energy: -25.733
where: short stacking energy: -27.933
Base-Backbone interact. energy: -0.275
local terms energy: -53.872702
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -238.741583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.741583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.741583 (E_RNA)
where:
Base-Base interactions energy: -159.547
where: short stacking energy: -78.186
Base-Backbone interact. energy: -1.182
local terms energy: -78.012148
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -22.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -201.477226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.477226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.477226 (E_RNA)
where:
Base-Base interactions energy: -122.659
where: short stacking energy: -66.954
Base-Backbone interact. energy: -0.003
local terms energy: -78.815298
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -15.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -217.786878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.786878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.786878 (E_RNA)
where:
Base-Base interactions energy: -141.250
where: short stacking energy: -77.140
Base-Backbone interact. energy: 1.291
local terms energy: -77.828009
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -208.774893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.774893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.774893 (E_RNA)
where:
Base-Base interactions energy: -136.406
where: short stacking energy: -60.693
Base-Backbone interact. energy: -0.180
local terms energy: -72.188192
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -167.697565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.697565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.697565 (E_RNA)
where:
Base-Base interactions energy: -104.895
where: short stacking energy: -48.550
Base-Backbone interact. energy: -0.063
local terms energy: -62.739891
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -9.423
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: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -189.535598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.535598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.535598 (E_RNA)
where:
Base-Base interactions energy: -124.523
where: short stacking energy: -57.164
Base-Backbone interact. energy: -0.639
local terms energy: -64.373247
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -202.375260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.375260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.375260 (E_RNA)
where:
Base-Base interactions energy: -128.494
where: short stacking energy: -68.276
Base-Backbone interact. energy: 0.588
local terms energy: -74.468619
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -178.850205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.850205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.850205 (E_RNA)
where:
Base-Base interactions energy: -120.027
where: short stacking energy: -64.331
Base-Backbone interact. energy: -0.211
local terms energy: -58.612625
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -171.391906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.391906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.391906 (E_RNA)
where:
Base-Base interactions energy: -105.355
where: short stacking energy: -50.985
Base-Backbone interact. energy: -0.240
local terms energy: -65.796940
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -90.437926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.437926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.437926 (E_RNA)
where:
Base-Base interactions energy: -43.406
where: short stacking energy: -43.406
Base-Backbone interact. energy: -0.061
local terms energy: -46.971012
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: -5.672
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: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -233.441932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.441932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.441932 (E_RNA)
where:
Base-Base interactions energy: -154.881
where: short stacking energy: -73.888
Base-Backbone interact. energy: -0.075
local terms energy: -78.485684
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -11.126
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: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -206.109449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.109449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.109449 (E_RNA)
where:
Base-Base interactions energy: -131.942
where: short stacking energy: -64.696
Base-Backbone interact. energy: -0.090
local terms energy: -74.077571
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -6.047
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: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -223.352967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.352967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.352967 (E_RNA)
where:
Base-Base interactions energy: -145.689
where: short stacking energy: -71.414
Base-Backbone interact. energy: -0.254
local terms energy: -77.410353
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -23.423
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: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -209.364227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.364227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.364227 (E_RNA)
where:
Base-Base interactions energy: -144.200
where: short stacking energy: -58.420
Base-Backbone interact. energy: -0.424
local terms energy: -64.739837
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -196.255120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.255120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.255120 (E_RNA)
where:
Base-Base interactions energy: -128.586
where: short stacking energy: -59.137
Base-Backbone interact. energy: -0.013
local terms energy: -67.656525
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -10.922
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -175.220071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.220071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.220071 (E_RNA)
where:
Base-Base interactions energy: -117.917
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.387
local terms energy: -56.916704
where:
bonds (distance) C4'-P energy: -6.779
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -17.702
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: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -180.226807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.226807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.226807 (E_RNA)
where:
Base-Base interactions energy: -119.828
where: short stacking energy: -58.623
Base-Backbone interact. energy: -0.701
local terms energy: -59.698002
where:
bonds (distance) C4'-P energy: -10.362
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -168.758990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.758990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.758990 (E_RNA)
where:
Base-Base interactions energy: -111.039
where: short stacking energy: -54.477
Base-Backbone interact. energy: -0.105
local terms energy: -57.614683
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -8.202
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -12.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -185.193310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.193310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.193310 (E_RNA)
where:
Base-Base interactions energy: -120.595
where: short stacking energy: -62.242
Base-Backbone interact. energy: -0.439
local terms energy: -64.159022
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -10.338
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -90.029827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.029827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.029827 (E_RNA)
where:
Base-Base interactions energy: -32.843
where: short stacking energy: -32.843
Base-Backbone interact. energy: -0.104
local terms energy: -57.083182
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -10.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -235.901375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.901375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.901375 (E_RNA)
where:
Base-Base interactions energy: -160.218
where: short stacking energy: -79.721
Base-Backbone interact. energy: -0.000
local terms energy: -75.683134
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -23.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -227.401796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.401796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.401796 (E_RNA)
where:
Base-Base interactions energy: -150.563
where: short stacking energy: -78.525
Base-Backbone interact. energy: -0.447
local terms energy: -76.391810
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -22.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -216.946800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.946800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.946800 (E_RNA)
where:
Base-Base interactions energy: -143.789
where: short stacking energy: -72.974
Base-Backbone interact. energy: -0.251
local terms energy: -72.907391
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -9.876
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: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -212.157680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.157680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.157680 (E_RNA)
where:
Base-Base interactions energy: -138.462
where: short stacking energy: -71.370
Base-Backbone interact. energy: -0.005
local terms energy: -73.691113
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -22.629
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: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -207.196892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.196892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.196892 (E_RNA)
where:
Base-Base interactions energy: -135.724
where: short stacking energy: -60.123
Base-Backbone interact. energy: -0.659
local terms energy: -70.813775
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -18.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -184.627030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.627030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.627030 (E_RNA)
where:
Base-Base interactions energy: -120.138
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.019
local terms energy: -64.469940
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -10.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -170.324538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.324538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.324538 (E_RNA)
where:
Base-Base interactions energy: -111.234
where: short stacking energy: -62.138
Base-Backbone interact. energy: -0.001
local terms energy: -59.088902
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -181.590689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.590689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.590689 (E_RNA)
where:
Base-Base interactions energy: -120.864
where: short stacking energy: -61.092
Base-Backbone interact. energy: -0.287
local terms energy: -60.440130
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -14.061
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: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -163.110338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.110338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.110338 (E_RNA)
where:
Base-Base interactions energy: -110.899
where: short stacking energy: -54.017
Base-Backbone interact. energy: -0.511
local terms energy: -51.699760
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -7.509
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -84.516401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.516401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.516401 (E_RNA)
where:
Base-Base interactions energy: -31.172
where: short stacking energy: -30.226
Base-Backbone interact. energy: 0.294
local terms energy: -53.638817
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -234.190623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.190623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.190623 (E_RNA)
where:
Base-Base interactions energy: -150.365
where: short stacking energy: -83.463
Base-Backbone interact. energy: -0.763
local terms energy: -83.062599
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -21.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -230.075505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.075505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.075505 (E_RNA)
where:
Base-Base interactions energy: -154.465
where: short stacking energy: -75.841
Base-Backbone interact. energy: -0.357
local terms energy: -75.253312
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -20.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -221.462753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.462753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.462753 (E_RNA)
where:
Base-Base interactions energy: -144.063
where: short stacking energy: -75.286
Base-Backbone interact. energy: -0.091
local terms energy: -77.307976
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -19.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -197.969379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.969379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.969379 (E_RNA)
where:
Base-Base interactions energy: -124.587
where: short stacking energy: -64.212
Base-Backbone interact. energy: -0.607
local terms energy: -72.775995
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -16.802
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: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -206.833617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.833617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.833617 (E_RNA)
where:
Base-Base interactions energy: -138.821
where: short stacking energy: -64.160
Base-Backbone interact. energy: 0.434
local terms energy: -68.447403
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -12.311
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: 6, replica: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -178.944400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.944400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.944400 (E_RNA)
where:
Base-Base interactions energy: -109.316
where: short stacking energy: -54.644
Base-Backbone interact. energy: -1.436
local terms energy: -68.191702
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -12.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -171.926655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.926655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.926655 (E_RNA)
where:
Base-Base interactions energy: -107.865
where: short stacking energy: -50.544
Base-Backbone interact. energy: 0.403
local terms energy: -64.463982
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -13.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -169.451798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.451798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.451798 (E_RNA)
where:
Base-Base interactions energy: -104.256
where: short stacking energy: -49.457
Base-Backbone interact. energy: -0.236
local terms energy: -64.959869
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -184.749023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.749023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.749023 (E_RNA)
where:
Base-Base interactions energy: -116.652
where: short stacking energy: -61.704
Base-Backbone interact. energy: -0.138
local terms energy: -67.958739
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -13.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -93.446779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.446779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.446779 (E_RNA)
where:
Base-Base interactions energy: -34.365
where: short stacking energy: -34.365
Base-Backbone interact. energy: -0.054
local terms energy: -59.028506
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -11.212
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: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -231.706095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.706095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.706095 (E_RNA)
where:
Base-Base interactions energy: -151.434
where: short stacking energy: -80.326
Base-Backbone interact. energy: 0.843
local terms energy: -81.115178
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -21.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -231.816005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.816005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.816005 (E_RNA)
where:
Base-Base interactions energy: -153.744
where: short stacking energy: -71.463
Base-Backbone interact. energy: -0.183
local terms energy: -77.889027
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -209.122886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.122886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.122886 (E_RNA)
where:
Base-Base interactions energy: -137.764
where: short stacking energy: -68.722
Base-Backbone interact. energy: -0.004
local terms energy: -71.354879
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -13.886
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: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -209.942983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.942983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.942983 (E_RNA)
where:
Base-Base interactions energy: -141.247
where: short stacking energy: -73.609
Base-Backbone interact. energy: -0.006
local terms energy: -68.690469
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -19.562
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: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -186.099950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.099950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.099950 (E_RNA)
where:
Base-Base interactions energy: -120.155
where: short stacking energy: -63.744
Base-Backbone interact. energy: -0.385
local terms energy: -65.559960
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -12.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -174.856440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.856440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.856440 (E_RNA)
where:
Base-Base interactions energy: -112.661
where: short stacking energy: -45.945
Base-Backbone interact. energy: -0.349
local terms energy: -61.846654
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -182.435547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.435547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.435547 (E_RNA)
where:
Base-Base interactions energy: -115.420
where: short stacking energy: -53.860
Base-Backbone interact. energy: 3.398
local terms energy: -70.413263
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -8.723
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: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -176.767160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.767160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.767160 (E_RNA)
where:
Base-Base interactions energy: -111.061
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.013
local terms energy: -65.693050
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -165.346030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.346030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.346030 (E_RNA)
where:
Base-Base interactions energy: -97.900
where: short stacking energy: -51.899
Base-Backbone interact. energy: 0.495
local terms energy: -67.941146
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -12.932
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: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -88.822551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.822551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.822551 (E_RNA)
where:
Base-Base interactions energy: -45.404
where: short stacking energy: -39.561
Base-Backbone interact. energy: -0.853
local terms energy: -42.564759
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -3.804
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -239.726696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.726696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.726696 (E_RNA)
where:
Base-Base interactions energy: -159.110
where: short stacking energy: -76.433
Base-Backbone interact. energy: -0.486
local terms energy: -80.130576
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -22.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -230.401776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.401776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.401776 (E_RNA)
where:
Base-Base interactions energy: -147.899
where: short stacking energy: -78.785
Base-Backbone interact. energy: -0.326
local terms energy: -82.177535
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -222.553019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.553019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.553019 (E_RNA)
where:
Base-Base interactions energy: -145.883
where: short stacking energy: -75.238
Base-Backbone interact. energy: -0.011
local terms energy: -76.659349
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -201.706883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.706883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.706883 (E_RNA)
where:
Base-Base interactions energy: -134.280
where: short stacking energy: -65.506
Base-Backbone interact. energy: -0.060
local terms energy: -67.366393
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -181.852585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.852585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.852585 (E_RNA)
where:
Base-Base interactions energy: -114.670
where: short stacking energy: -59.270
Base-Backbone interact. energy: -0.065
local terms energy: -67.117670
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -11.936
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: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -179.385050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.385050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.385050 (E_RNA)
where:
Base-Base interactions energy: -111.744
where: short stacking energy: -56.031
Base-Backbone interact. energy: -0.136
local terms energy: -67.505242
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -12.589
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: 324
Temperature: 1.200000
Total energy: -178.632353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.632353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.632353 (E_RNA)
where:
Base-Base interactions energy: -118.985
where: short stacking energy: -55.457
Base-Backbone interact. energy: -0.130
local terms energy: -59.516796
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -11.572
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: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -172.984458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.984458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.984458 (E_RNA)
where:
Base-Base interactions energy: -116.533
where: short stacking energy: -58.433
Base-Backbone interact. energy: -0.794
local terms energy: -55.656965
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -3.387
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -162.525571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.525571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.525571 (E_RNA)
where:
Base-Base interactions energy: -102.923
where: short stacking energy: -53.564
Base-Backbone interact. energy: -0.017
local terms energy: -59.585972
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -11.138
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: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -85.223244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.223244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.223244 (E_RNA)
where:
Base-Base interactions energy: -28.681
where: short stacking energy: -28.811
Base-Backbone interact. energy: 0.840
local terms energy: -57.382377
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -240.482917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.482917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.482917 (E_RNA)
where:
Base-Base interactions energy: -161.973
where: short stacking energy: -84.212
Base-Backbone interact. energy: -0.003
local terms energy: -78.507506
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -11.289
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: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -226.396532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.396532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.396532 (E_RNA)
where:
Base-Base interactions energy: -146.713
where: short stacking energy: -76.545
Base-Backbone interact. energy: -0.729
local terms energy: -78.954766
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -19.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -226.563948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.563948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.563948 (E_RNA)
where:
Base-Base interactions energy: -155.623
where: short stacking energy: -74.737
Base-Backbone interact. energy: -0.040
local terms energy: -70.900509
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -20.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -205.512651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.512651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.512651 (E_RNA)
where:
Base-Base interactions energy: -132.261
where: short stacking energy: -69.315
Base-Backbone interact. energy: -0.233
local terms energy: -73.018572
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -187.474174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.474174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.474174 (E_RNA)
where:
Base-Base interactions energy: -114.709
where: short stacking energy: -60.441
Base-Backbone interact. energy: -1.202
local terms energy: -71.563514
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -8.061
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: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -202.454121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.454121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.454121 (E_RNA)
where:
Base-Base interactions energy: -130.750
where: short stacking energy: -62.683
Base-Backbone interact. energy: -0.096
local terms energy: -71.607814
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -10.971
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: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -166.005679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.005679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.005679 (E_RNA)
where:
Base-Base interactions energy: -106.324
where: short stacking energy: -54.124
Base-Backbone interact. energy: -0.211
local terms energy: -59.470506
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -179.255815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.255815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.255815 (E_RNA)
where:
Base-Base interactions energy: -116.951
where: short stacking energy: -65.358
Base-Backbone interact. energy: -0.007
local terms energy: -62.297606
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -13.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -161.149935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.149935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.149935 (E_RNA)
where:
Base-Base interactions energy: -102.915
where: short stacking energy: -49.951
Base-Backbone interact. energy: -0.070
local terms energy: -58.164347
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -10.081
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: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -92.613366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.613366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.613366 (E_RNA)
where:
Base-Base interactions energy: -43.143
where: short stacking energy: -38.030
Base-Backbone interact. energy: -0.177
local terms energy: -49.293678
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -7.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -235.212815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.212815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.212815 (E_RNA)
where:
Base-Base interactions energy: -156.485
where: short stacking energy: -83.439
Base-Backbone interact. energy: -0.001
local terms energy: -78.726178
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -11.937
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: 2, replica: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -227.173243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.173243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.173243 (E_RNA)
where:
Base-Base interactions energy: -145.325
where: short stacking energy: -78.075
Base-Backbone interact. energy: -0.269
local terms energy: -81.579433
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -24.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -212.645477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.645477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.645477 (E_RNA)
where:
Base-Base interactions energy: -138.109
where: short stacking energy: -70.147
Base-Backbone interact. energy: -2.002
local terms energy: -72.534539
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -6.218
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: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -205.487282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.487282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.487282 (E_RNA)
where:
Base-Base interactions energy: -132.347
where: short stacking energy: -64.231
Base-Backbone interact. energy: -1.191
local terms energy: -71.949949
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -18.531
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: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -203.730475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.730475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.730475 (E_RNA)
where:
Base-Base interactions energy: -141.963
where: short stacking energy: -65.819
Base-Backbone interact. energy: -0.302
local terms energy: -61.465533
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -8.448
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -4.070
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -180.344482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.344482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.344482 (E_RNA)
where:
Base-Base interactions energy: -111.039
where: short stacking energy: -51.511
Base-Backbone interact. energy: -0.017
local terms energy: -69.288791
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -11.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -176.506755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.506755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.506755 (E_RNA)
where:
Base-Base interactions energy: -111.052
where: short stacking energy: -57.164
Base-Backbone interact. energy: -0.208
local terms energy: -65.246737
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -10.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -158.805675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.805675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.805675 (E_RNA)
where:
Base-Base interactions energy: -94.337
where: short stacking energy: -44.606
Base-Backbone interact. energy: -0.158
local terms energy: -64.309888
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -168.415390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.415390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.415390 (E_RNA)
where:
Base-Base interactions energy: -103.977
where: short stacking energy: -51.741
Base-Backbone interact. energy: -0.193
local terms energy: -64.244587
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -98.981126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.981126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.981126 (E_RNA)
where:
Base-Base interactions energy: -43.884
where: short stacking energy: -43.884
Base-Backbone interact. energy: -0.001
local terms energy: -55.095439
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -242.953673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.953673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.953673 (E_RNA)
where:
Base-Base interactions energy: -163.698
where: short stacking energy: -84.877
Base-Backbone interact. energy: -0.001
local terms energy: -79.254920
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -24.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -225.278778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.278778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.278778 (E_RNA)
where:
Base-Base interactions energy: -148.891
where: short stacking energy: -76.802
Base-Backbone interact. energy: -0.960
local terms energy: -75.427848
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -213.390494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.390494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.390494 (E_RNA)
where:
Base-Base interactions energy: -140.013
where: short stacking energy: -68.506
Base-Backbone interact. energy: -2.004
local terms energy: -71.373403
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -20.593
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: 327
Temperature: 1.050000
Total energy: -219.596592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.596592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.596592 (E_RNA)
where:
Base-Base interactions energy: -146.534
where: short stacking energy: -70.317
Base-Backbone interact. energy: -0.016
local terms energy: -73.046518
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -204.867504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.867504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.867504 (E_RNA)
where:
Base-Base interactions energy: -135.042
where: short stacking energy: -62.874
Base-Backbone interact. energy: -0.003
local terms energy: -69.822313
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -15.088
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: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -190.515708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.515708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.515708 (E_RNA)
where:
Base-Base interactions energy: -121.847
where: short stacking energy: -60.295
Base-Backbone interact. energy: 0.310
local terms energy: -68.978800
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -178.082343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.082343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.082343 (E_RNA)
where:
Base-Base interactions energy: -107.467
where: short stacking energy: -60.500
Base-Backbone interact. energy: -1.203
local terms energy: -69.412111
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -13.609
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: 327
Temperature: 1.250000
Total energy: -163.544736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.544736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.544736 (E_RNA)
where:
Base-Base interactions energy: -111.874
where: short stacking energy: -60.621
Base-Backbone interact. energy: 1.688
local terms energy: -53.358397
where:
bonds (distance) C4'-P energy: -5.932
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -10.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -164.417230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.417230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.417230 (E_RNA)
where:
Base-Base interactions energy: -100.003
where: short stacking energy: -43.794
Base-Backbone interact. energy: -0.255
local terms energy: -64.159283
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -87.224078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.224078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.224078 (E_RNA)
where:
Base-Base interactions energy: -30.581
where: short stacking energy: -25.057
Base-Backbone interact. energy: -0.198
local terms energy: -56.444612
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -220.620391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.620391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.620391 (E_RNA)
where:
Base-Base interactions energy: -143.532
where: short stacking energy: -70.453
Base-Backbone interact. energy: -0.511
local terms energy: -76.577310
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -235.010813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.010813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.010813 (E_RNA)
where:
Base-Base interactions energy: -161.795
where: short stacking energy: -78.140
Base-Backbone interact. energy: -0.001
local terms energy: -73.215617
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -215.193825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.193825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.193825 (E_RNA)
where:
Base-Base interactions energy: -143.375
where: short stacking energy: -66.135
Base-Backbone interact. energy: -0.102
local terms energy: -71.716288
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -16.805
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: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -206.138958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.138958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.138958 (E_RNA)
where:
Base-Base interactions energy: -140.107
where: short stacking energy: -71.030
Base-Backbone interact. energy: -0.512
local terms energy: -65.520069
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -7.289
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: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -204.496200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.496200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.496200 (E_RNA)
where:
Base-Base interactions energy: -134.461
where: short stacking energy: -60.845
Base-Backbone interact. energy: -0.583
local terms energy: -69.452676
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -183.787469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.787469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.787469 (E_RNA)
where:
Base-Base interactions energy: -129.430
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.188
local terms energy: -54.169226
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -10.036
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: 328
Temperature: 1.200000
Total energy: -177.892251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.892251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.892251 (E_RNA)
where:
Base-Base interactions energy: -124.839
where: short stacking energy: -61.206
Base-Backbone interact. energy: -1.929
local terms energy: -51.124200
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: -12.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -161.870410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.870410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.870410 (E_RNA)
where:
Base-Base interactions energy: -103.387
where: short stacking energy: -52.789
Base-Backbone interact. energy: -0.040
local terms energy: -58.442848
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -7.727
flat angles P-C4'-P energy: -5.166
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -161.221740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.221740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.221740 (E_RNA)
where:
Base-Base interactions energy: -96.063
where: short stacking energy: -49.726
Base-Backbone interact. energy: -0.236
local terms energy: -64.922572
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -93.435091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.435091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.435091 (E_RNA)
where:
Base-Base interactions energy: -36.993
where: short stacking energy: -35.595
Base-Backbone interact. energy: -0.891
local terms energy: -55.550547
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -233.869939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.869939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.869939 (E_RNA)
where:
Base-Base interactions energy: -149.689
where: short stacking energy: -74.470
Base-Backbone interact. energy: -0.052
local terms energy: -84.128875
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -22.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -231.332929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.332929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.332929 (E_RNA)
where:
Base-Base interactions energy: -148.565
where: short stacking energy: -80.971
Base-Backbone interact. energy: -0.819
local terms energy: -81.949119
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -23.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -208.824288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.824288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.824288 (E_RNA)
where:
Base-Base interactions energy: -131.458
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.229
local terms energy: -77.136666
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -219.777911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.777911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.777911 (E_RNA)
where:
Base-Base interactions energy: -136.943
where: short stacking energy: -64.858
Base-Backbone interact. energy: -0.589
local terms energy: -82.246639
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -201.859811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.859811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.859811 (E_RNA)
where:
Base-Base interactions energy: -131.767
where: short stacking energy: -66.471
Base-Backbone interact. energy: -0.030
local terms energy: -70.062847
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -16.141
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: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -188.225986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.225986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.225986 (E_RNA)
where:
Base-Base interactions energy: -124.558
where: short stacking energy: -58.953
Base-Backbone interact. energy: 0.459
local terms energy: -64.126898
where:
bonds (distance) C4'-P energy: -7.732
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -9.670
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: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -173.944494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.944494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.944494 (E_RNA)
where:
Base-Base interactions energy: -107.515
where: short stacking energy: -56.859
Base-Backbone interact. energy: -0.517
local terms energy: -65.912636
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -11.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -154.526182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.526182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.526182 (E_RNA)
where:
Base-Base interactions energy: -101.232
where: short stacking energy: -45.991
Base-Backbone interact. energy: -0.559
local terms energy: -52.735350
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -6.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -143.770577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.770577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.770577 (E_RNA)
where:
Base-Base interactions energy: -82.761
where: short stacking energy: -42.415
Base-Backbone interact. energy: -0.518
local terms energy: -60.491578
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -91.399089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.399089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.399089 (E_RNA)
where:
Base-Base interactions energy: -43.606
where: short stacking energy: -35.957
Base-Backbone interact. energy: -0.200
local terms energy: -47.592953
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -236.565606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.565606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.565606 (E_RNA)
where:
Base-Base interactions energy: -150.397
where: short stacking energy: -71.648
Base-Backbone interact. energy: -0.347
local terms energy: -85.821255
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -11.212
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: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -227.364015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.364015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.364015 (E_RNA)
where:
Base-Base interactions energy: -151.278
where: short stacking energy: -76.712
Base-Backbone interact. energy: -0.000
local terms energy: -76.085639
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -23.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -221.005578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.005578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.005578 (E_RNA)
where:
Base-Base interactions energy: -151.575
where: short stacking energy: -67.557
Base-Backbone interact. energy: -0.504
local terms energy: -68.925938
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: -20.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -214.145572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.145572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.145572 (E_RNA)
where:
Base-Base interactions energy: -139.916
where: short stacking energy: -58.658
Base-Backbone interact. energy: -0.088
local terms energy: -74.142309
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -211.451128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.451128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.451128 (E_RNA)
where:
Base-Base interactions energy: -139.675
where: short stacking energy: -68.901
Base-Backbone interact. energy: -0.001
local terms energy: -71.775132
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -9.839
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: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -193.532473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.532473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.532473 (E_RNA)
where:
Base-Base interactions energy: -128.390
where: short stacking energy: -65.090
Base-Backbone interact. energy: -0.048
local terms energy: -65.095071
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -11.001
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: 330
Temperature: 1.200000
Total energy: -172.519865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.519865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.519865 (E_RNA)
where:
Base-Base interactions energy: -111.102
where: short stacking energy: -53.470
Base-Backbone interact. energy: -0.098
local terms energy: -61.319191
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -9.303
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -9.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -174.722904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.722904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.722904 (E_RNA)
where:
Base-Base interactions energy: -109.956
where: short stacking energy: -58.493
Base-Backbone interact. energy: -0.133
local terms energy: -64.633627
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -106.753621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.753621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.753621 (E_RNA)
where:
Base-Base interactions energy: -49.449
where: short stacking energy: -39.728
Base-Backbone interact. energy: -0.257
local terms energy: -57.048108
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -89.539468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.539468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.539468 (E_RNA)
where:
Base-Base interactions energy: -34.787
where: short stacking energy: -34.787
Base-Backbone interact. energy: -0.139
local terms energy: -54.613731
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -6.547
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: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -237.266416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.266416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.266416 (E_RNA)
where:
Base-Base interactions energy: -158.698
where: short stacking energy: -79.882
Base-Backbone interact. energy: -0.774
local terms energy: -77.794705
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -12.072
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: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -222.017709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.017709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.017709 (E_RNA)
where:
Base-Base interactions energy: -148.396
where: short stacking energy: -75.553
Base-Backbone interact. energy: 0.372
local terms energy: -73.993436
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -10.916
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: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -233.271858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.271858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.271858 (E_RNA)
where:
Base-Base interactions energy: -150.946
where: short stacking energy: -77.769
Base-Backbone interact. energy: -0.605
local terms energy: -81.721228
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -22.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -214.498552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.498552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.498552 (E_RNA)
where:
Base-Base interactions energy: -139.568
where: short stacking energy: -70.714
Base-Backbone interact. energy: -0.026
local terms energy: -74.903892
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -21.660
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: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -199.676435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.676435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.676435 (E_RNA)
where:
Base-Base interactions energy: -132.434
where: short stacking energy: -62.380
Base-Backbone interact. energy: 0.881
local terms energy: -68.123794
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -15.632
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: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -182.635196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.635196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.635196 (E_RNA)
where:
Base-Base interactions energy: -121.162
where: short stacking energy: -57.418
Base-Backbone interact. energy: -0.224
local terms energy: -61.249285
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -5.532
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: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -194.065073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.065073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.065073 (E_RNA)
where:
Base-Base interactions energy: -123.561
where: short stacking energy: -60.992
Base-Backbone interact. energy: -0.499
local terms energy: -70.005379
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -90.290231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.290231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.290231 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -30.477
Base-Backbone interact. energy: -0.241
local terms energy: -51.323285
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -6.639
flat angles P-C4'-P energy: -6.204
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: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -163.645575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.645575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.645575 (E_RNA)
where:
Base-Base interactions energy: -107.122
where: short stacking energy: -55.440
Base-Backbone interact. energy: -0.947
local terms energy: -55.576457
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -11.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -80.571771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.571771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.571771 (E_RNA)
where:
Base-Base interactions energy: -35.970
where: short stacking energy: -29.487
Base-Backbone interact. energy: -0.970
local terms energy: -43.632095
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -4.817
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: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -234.716661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.716661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.716661 (E_RNA)
where:
Base-Base interactions energy: -156.687
where: short stacking energy: -78.114
Base-Backbone interact. energy: -0.010
local terms energy: -78.019542
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -21.343
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: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -232.079477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.079477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.079477 (E_RNA)
where:
Base-Base interactions energy: -154.130
where: short stacking energy: -80.589
Base-Backbone interact. energy: -0.020
local terms energy: -77.929519
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -23.290
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: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -219.497253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.497253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.497253 (E_RNA)
where:
Base-Base interactions energy: -143.249
where: short stacking energy: -74.747
Base-Backbone interact. energy: -0.612
local terms energy: -75.636104
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -21.792
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: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -216.872099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.872099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.872099 (E_RNA)
where:
Base-Base interactions energy: -137.770
where: short stacking energy: -74.577
Base-Backbone interact. energy: -0.012
local terms energy: -79.090270
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -170.387419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.387419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.387419 (E_RNA)
where:
Base-Base interactions energy: -112.672
where: short stacking energy: -58.138
Base-Backbone interact. energy: -0.771
local terms energy: -56.944411
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -197.331070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.331070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.331070 (E_RNA)
where:
Base-Base interactions energy: -132.154
where: short stacking energy: -66.064
Base-Backbone interact. energy: -0.041
local terms energy: -65.136726
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -14.661
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: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -178.072621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.072621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.072621 (E_RNA)
where:
Base-Base interactions energy: -118.663
where: short stacking energy: -63.228
Base-Backbone interact. energy: -0.083
local terms energy: -59.326676
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -11.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -103.334181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.334181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.334181 (E_RNA)
where:
Base-Base interactions energy: -43.661
where: short stacking energy: -26.367
Base-Backbone interact. energy: -0.073
local terms energy: -59.600242
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -3.634
tors. eta vs tors. theta energy: -6.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -165.215613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.215613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.215613 (E_RNA)
where:
Base-Base interactions energy: -123.517
where: short stacking energy: -63.840
Base-Backbone interact. energy: -0.137
local terms energy: -41.561623
where:
bonds (distance) C4'-P energy: -8.568
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: 1.493
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -84.306598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.306598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.306598 (E_RNA)
where:
Base-Base interactions energy: -31.044
where: short stacking energy: -25.466
Base-Backbone interact. energy: -0.242
local terms energy: -53.020370
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -7.644
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -8.133
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: 333
Temperature: 0.900000
Total energy: -228.894620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.894620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.894620 (E_RNA)
where:
Base-Base interactions energy: -154.023
where: short stacking energy: -81.258
Base-Backbone interact. energy: -0.009
local terms energy: -74.862583
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -221.531219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.531219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.531219 (E_RNA)
where:
Base-Base interactions energy: -146.180
where: short stacking energy: -66.414
Base-Backbone interact. energy: -1.016
local terms energy: -74.335126
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -17.330
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: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -228.540256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.540256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.540256 (E_RNA)
where:
Base-Base interactions energy: -147.069
where: short stacking energy: -73.576
Base-Backbone interact. energy: -0.583
local terms energy: -80.888147
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -20.449
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: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -176.737319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.737319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.737319 (E_RNA)
where:
Base-Base interactions energy: -110.262
where: short stacking energy: -49.762
Base-Backbone interact. energy: -1.018
local terms energy: -65.457371
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -7.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -218.534015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.534015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.534015 (E_RNA)
where:
Base-Base interactions energy: -151.678
where: short stacking energy: -78.636
Base-Backbone interact. energy: -0.723
local terms energy: -66.132518
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -186.713096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.713096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.713096 (E_RNA)
where:
Base-Base interactions energy: -122.243
where: short stacking energy: -59.494
Base-Backbone interact. energy: -0.083
local terms energy: -64.387004
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -181.647770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.647770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.647770 (E_RNA)
where:
Base-Base interactions energy: -119.832
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.001
local terms energy: -61.814921
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -16.853
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: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -185.625107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.625107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.625107 (E_RNA)
where:
Base-Base interactions energy: -122.391
where: short stacking energy: -51.624
Base-Backbone interact. energy: -0.613
local terms energy: -62.620663
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.978
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: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -91.741801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.741801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.741801 (E_RNA)
where:
Base-Base interactions energy: -50.370
where: short stacking energy: -15.152
Base-Backbone interact. energy: -1.039
local terms energy: -40.332315
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -2.633
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: 10, replica: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -86.115748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.115748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.115748 (E_RNA)
where:
Base-Base interactions energy: -41.476
where: short stacking energy: -37.554
Base-Backbone interact. energy: -0.226
local terms energy: -44.413533
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -8.143
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -231.027551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.027551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.027551 (E_RNA)
where:
Base-Base interactions energy: -153.494
where: short stacking energy: -82.819
Base-Backbone interact. energy: -0.578
local terms energy: -76.955338
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -229.242304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.242304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.242304 (E_RNA)
where:
Base-Base interactions energy: -150.395
where: short stacking energy: -72.254
Base-Backbone interact. energy: -0.378
local terms energy: -78.469906
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -230.756429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.756429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.756429 (E_RNA)
where:
Base-Base interactions energy: -153.862
where: short stacking energy: -79.298
Base-Backbone interact. energy: 0.091
local terms energy: -76.985918
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -210.371056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.371056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.371056 (E_RNA)
where:
Base-Base interactions energy: -138.764
where: short stacking energy: -53.519
Base-Backbone interact. energy: -0.416
local terms energy: -71.190981
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -10.900
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: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -214.929537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.929537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.929537 (E_RNA)
where:
Base-Base interactions energy: -143.802
where: short stacking energy: -70.383
Base-Backbone interact. energy: -0.465
local terms energy: -70.662777
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -182.597508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.597508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.597508 (E_RNA)
where:
Base-Base interactions energy: -116.628
where: short stacking energy: -56.115
Base-Backbone interact. energy: -0.074
local terms energy: -65.895513
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -16.260
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: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -176.378949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.378949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.378949 (E_RNA)
where:
Base-Base interactions energy: -107.181
where: short stacking energy: -56.814
Base-Backbone interact. energy: -0.105
local terms energy: -69.092698
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -11.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -172.464680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.464680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.464680 (E_RNA)
where:
Base-Base interactions energy: -112.973
where: short stacking energy: -50.362
Base-Backbone interact. energy: -0.269
local terms energy: -59.223009
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -7.995
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: 9, replica: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -90.841485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.841485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.841485 (E_RNA)
where:
Base-Base interactions energy: -35.372
where: short stacking energy: -33.248
Base-Backbone interact. energy: -0.869
local terms energy: -54.600372
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -2.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -97.852871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.852871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.852871 (E_RNA)
where:
Base-Base interactions energy: -49.905
where: short stacking energy: -43.987
Base-Backbone interact. energy: -0.921
local terms energy: -47.027151
where:
bonds (distance) C4'-P energy: -7.313
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -2.359
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: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -235.047987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.047987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.047987 (E_RNA)
where:
Base-Base interactions energy: -153.106
where: short stacking energy: -81.455
Base-Backbone interact. energy: -0.652
local terms energy: -81.289541
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -22.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -232.545901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.545901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.545901 (E_RNA)
where:
Base-Base interactions energy: -148.978
where: short stacking energy: -69.860
Base-Backbone interact. energy: -0.095
local terms energy: -83.472961
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -22.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -225.035880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.035880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.035880 (E_RNA)
where:
Base-Base interactions energy: -147.486
where: short stacking energy: -80.843
Base-Backbone interact. energy: -0.012
local terms energy: -77.538051
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -217.235789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.235789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.235789 (E_RNA)
where:
Base-Base interactions energy: -149.776
where: short stacking energy: -76.280
Base-Backbone interact. energy: -0.006
local terms energy: -67.454339
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -18.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -197.411344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.411344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.411344 (E_RNA)
where:
Base-Base interactions energy: -132.047
where: short stacking energy: -67.565
Base-Backbone interact. energy: -0.635
local terms energy: -64.728870
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -8.829
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -176.898073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.898073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.898073 (E_RNA)
where:
Base-Base interactions energy: -108.574
where: short stacking energy: -63.786
Base-Backbone interact. energy: -0.021
local terms energy: -68.303292
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -12.525
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: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -187.702095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.702095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.702095 (E_RNA)
where:
Base-Base interactions energy: -124.771
where: short stacking energy: -59.871
Base-Backbone interact. energy: -0.036
local terms energy: -62.895132
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -11.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -185.972783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.972783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.972783 (E_RNA)
where:
Base-Base interactions energy: -119.945
where: short stacking energy: -57.155
Base-Backbone interact. energy: -0.736
local terms energy: -65.292394
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -12.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -91.618422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.618422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.618422 (E_RNA)
where:
Base-Base interactions energy: -41.922
where: short stacking energy: -31.569
Base-Backbone interact. energy: 2.323
local terms energy: -52.018719
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -88.146642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.146642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.146642 (E_RNA)
where:
Base-Base interactions energy: -35.741
where: short stacking energy: -35.741
Base-Backbone interact. energy: -0.079
local terms energy: -52.325924
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -6.841
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: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -239.107126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.107126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.107126 (E_RNA)
where:
Base-Base interactions energy: -162.366
where: short stacking energy: -83.456
Base-Backbone interact. energy: 0.086
local terms energy: -76.827149
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -21.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -228.293551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.293551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.293551 (E_RNA)
where:
Base-Base interactions energy: -149.703
where: short stacking energy: -78.980
Base-Backbone interact. energy: -0.064
local terms energy: -78.526642
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -20.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -224.596865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.596865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.596865 (E_RNA)
where:
Base-Base interactions energy: -146.468
where: short stacking energy: -76.729
Base-Backbone interact. energy: -0.018
local terms energy: -78.110895
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -204.780272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.780272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.780272 (E_RNA)
where:
Base-Base interactions energy: -134.133
where: short stacking energy: -64.630
Base-Backbone interact. energy: -0.099
local terms energy: -70.548340
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -12.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -180.417275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.417275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.417275 (E_RNA)
where:
Base-Base interactions energy: -109.828
where: short stacking energy: -59.488
Base-Backbone interact. energy: -0.519
local terms energy: -70.070063
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -12.249
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: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -186.920129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.920129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.920129 (E_RNA)
where:
Base-Base interactions energy: -124.140
where: short stacking energy: -51.512
Base-Backbone interact. energy: -1.155
local terms energy: -61.625372
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -171.684423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.684423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.684423 (E_RNA)
where:
Base-Base interactions energy: -108.131
where: short stacking energy: -50.430
Base-Backbone interact. energy: -0.027
local terms energy: -63.526753
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -176.630079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.630079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.630079 (E_RNA)
where:
Base-Base interactions energy: -113.812
where: short stacking energy: -59.976
Base-Backbone interact. energy: 0.039
local terms energy: -62.857305
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -11.863
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: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -98.781778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.781778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.781778 (E_RNA)
where:
Base-Base interactions energy: -43.432
where: short stacking energy: -32.563
Base-Backbone interact. energy: -0.094
local terms energy: -55.255754
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -88.424597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.424597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.424597 (E_RNA)
where:
Base-Base interactions energy: -28.528
where: short stacking energy: -25.025
Base-Backbone interact. energy: -0.021
local terms energy: -59.876421
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -239.459400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.459400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.459400 (E_RNA)
where:
Base-Base interactions energy: -158.853
where: short stacking energy: -80.708
Base-Backbone interact. energy: 0.112
local terms energy: -80.718479
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -20.748
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: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -230.134859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.134859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.134859 (E_RNA)
where:
Base-Base interactions energy: -150.948
where: short stacking energy: -76.783
Base-Backbone interact. energy: -0.003
local terms energy: -79.183807
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -13.338
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: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -221.600242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.600242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.600242 (E_RNA)
where:
Base-Base interactions energy: -144.981
where: short stacking energy: -77.167
Base-Backbone interact. energy: -0.296
local terms energy: -76.323330
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -210.978209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.978209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.978209 (E_RNA)
where:
Base-Base interactions energy: -136.671
where: short stacking energy: -69.253
Base-Backbone interact. energy: -0.294
local terms energy: -74.013972
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -183.376839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.376839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.376839 (E_RNA)
where:
Base-Base interactions energy: -119.046
where: short stacking energy: -62.085
Base-Backbone interact. energy: -0.267
local terms energy: -64.063712
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -7.470
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: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -181.576419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.576419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.576419 (E_RNA)
where:
Base-Base interactions energy: -114.979
where: short stacking energy: -56.276
Base-Backbone interact. energy: -0.031
local terms energy: -66.566256
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -15.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -179.700860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.700860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.700860 (E_RNA)
where:
Base-Base interactions energy: -118.619
where: short stacking energy: -46.673
Base-Backbone interact. energy: -1.354
local terms energy: -59.728013
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -9.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -174.127950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.127950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.127950 (E_RNA)
where:
Base-Base interactions energy: -109.184
where: short stacking energy: -52.215
Base-Backbone interact. energy: -0.293
local terms energy: -64.651625
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -12.328
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: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -111.664229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.664229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.664229 (E_RNA)
where:
Base-Base interactions energy: -60.906
where: short stacking energy: -39.404
Base-Backbone interact. energy: -0.068
local terms energy: -50.690813
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -83.472597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.472597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.472597 (E_RNA)
where:
Base-Base interactions energy: -39.507
where: short stacking energy: -37.828
Base-Backbone interact. energy: -0.028
local terms energy: -43.938364
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -8.628
flat angles C4'-P-C4' energy: -8.498
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -237.956705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.956705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.956705 (E_RNA)
where:
Base-Base interactions energy: -157.494
where: short stacking energy: -83.653
Base-Backbone interact. energy: -0.629
local terms energy: -79.834160
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -227.010420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.010420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.010420 (E_RNA)
where:
Base-Base interactions energy: -152.525
where: short stacking energy: -78.961
Base-Backbone interact. energy: -0.124
local terms energy: -74.361307
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -221.707368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.707368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.707368 (E_RNA)
where:
Base-Base interactions energy: -148.956
where: short stacking energy: -72.538
Base-Backbone interact. energy: -0.051
local terms energy: -72.699919
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -203.283437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.283437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.283437 (E_RNA)
where:
Base-Base interactions energy: -130.730
where: short stacking energy: -74.144
Base-Backbone interact. energy: -0.013
local terms energy: -72.540172
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -184.903528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.903528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.903528 (E_RNA)
where:
Base-Base interactions energy: -117.880
where: short stacking energy: -67.578
Base-Backbone interact. energy: -0.119
local terms energy: -66.904024
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -10.183
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: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -173.721754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.721754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.721754 (E_RNA)
where:
Base-Base interactions energy: -112.593
where: short stacking energy: -61.439
Base-Backbone interact. energy: -0.054
local terms energy: -61.073993
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -15.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -176.422620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.422620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.422620 (E_RNA)
where:
Base-Base interactions energy: -110.582
where: short stacking energy: -57.176
Base-Backbone interact. energy: 1.340
local terms energy: -67.180516
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -172.464765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.464765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.464765 (E_RNA)
where:
Base-Base interactions energy: -105.372
where: short stacking energy: -51.973
Base-Backbone interact. energy: -0.050
local terms energy: -67.042035
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -12.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -90.692965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.692965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.692965 (E_RNA)
where:
Base-Base interactions energy: -39.428
where: short stacking energy: -34.734
Base-Backbone interact. energy: -0.156
local terms energy: -51.108746
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -8.033
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: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -83.884699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.884699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.884699 (E_RNA)
where:
Base-Base interactions energy: -30.449
where: short stacking energy: -27.096
Base-Backbone interact. energy: -0.109
local terms energy: -53.326822
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -242.105487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.105487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.105487 (E_RNA)
where:
Base-Base interactions energy: -156.784
where: short stacking energy: -81.318
Base-Backbone interact. energy: -0.588
local terms energy: -84.734120
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -222.270805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.270805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.270805 (E_RNA)
where:
Base-Base interactions energy: -149.161
where: short stacking energy: -70.802
Base-Backbone interact. energy: -0.031
local terms energy: -73.078658
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -11.898
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: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -223.580937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.580937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.580937 (E_RNA)
where:
Base-Base interactions energy: -147.682
where: short stacking energy: -77.635
Base-Backbone interact. energy: -2.056
local terms energy: -73.842176
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -9.826
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -23.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -185.750698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.750698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.750698 (E_RNA)
where:
Base-Base interactions energy: -121.327
where: short stacking energy: -65.303
Base-Backbone interact. energy: -0.876
local terms energy: -63.547722
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -196.162868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.162868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.162868 (E_RNA)
where:
Base-Base interactions energy: -124.780
where: short stacking energy: -60.986
Base-Backbone interact. energy: -1.219
local terms energy: -70.163560
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -179.932392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.932392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.932392 (E_RNA)
where:
Base-Base interactions energy: -113.637
where: short stacking energy: -49.194
Base-Backbone interact. energy: -0.514
local terms energy: -65.781044
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -8.675
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: 7, replica: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -176.923986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.923986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.923986 (E_RNA)
where:
Base-Base interactions energy: -117.098
where: short stacking energy: -61.563
Base-Backbone interact. energy: 0.558
local terms energy: -60.383233
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -9.466
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: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -181.757484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.757484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.757484 (E_RNA)
where:
Base-Base interactions energy: -114.611
where: short stacking energy: -58.402
Base-Backbone interact. energy: -0.036
local terms energy: -67.110439
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -9.411
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: 9, replica: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -157.379553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.379553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.379553 (E_RNA)
where:
Base-Base interactions energy: -102.328
where: short stacking energy: -55.952
Base-Backbone interact. energy: -0.153
local terms energy: -54.899105
where:
bonds (distance) C4'-P energy: -8.523
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -12.551
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: 339
Temperature: 1.350000
Total energy: -82.056604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.056604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.056604 (E_RNA)
where:
Base-Base interactions energy: -25.180
where: short stacking energy: -25.180
Base-Backbone interact. energy: 0.516
local terms energy: -57.392333
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -237.930004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.930004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.930004 (E_RNA)
where:
Base-Base interactions energy: -155.534
where: short stacking energy: -78.868
Base-Backbone interact. energy: -0.528
local terms energy: -81.868138
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -232.200674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.200674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.200674 (E_RNA)
where:
Base-Base interactions energy: -158.184
where: short stacking energy: -77.066
Base-Backbone interact. energy: -0.044
local terms energy: -73.972485
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -227.818112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.818112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.818112 (E_RNA)
where:
Base-Base interactions energy: -150.102
where: short stacking energy: -81.813
Base-Backbone interact. energy: -0.873
local terms energy: -76.842860
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -184.237709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.237709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.237709 (E_RNA)
where:
Base-Base interactions energy: -119.257
where: short stacking energy: -65.410
Base-Backbone interact. energy: -0.135
local terms energy: -64.845885
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -200.083333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.083333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.083333 (E_RNA)
where:
Base-Base interactions energy: -133.879
where: short stacking energy: -59.923
Base-Backbone interact. energy: 1.963
local terms energy: -68.167201
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -9.952
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: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -185.085317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.085317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.085317 (E_RNA)
where:
Base-Base interactions energy: -128.323
where: short stacking energy: -56.469
Base-Backbone interact. energy: -0.004
local terms energy: -56.758425
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -11.162
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: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -186.112735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.112735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.112735 (E_RNA)
where:
Base-Base interactions energy: -118.021
where: short stacking energy: -65.626
Base-Backbone interact. energy: -0.251
local terms energy: -67.841204
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -6.117
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: 8, replica: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -175.104969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.104969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.104969 (E_RNA)
where:
Base-Base interactions energy: -115.269
where: short stacking energy: -57.027
Base-Backbone interact. energy: -0.003
local terms energy: -59.832473
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -6.810
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -175.032538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.032538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.032538 (E_RNA)
where:
Base-Base interactions energy: -111.485
where: short stacking energy: -59.043
Base-Backbone interact. energy: -0.263
local terms energy: -63.284314
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -77.667221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.667221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.667221 (E_RNA)
where:
Base-Base interactions energy: -28.548
where: short stacking energy: -28.548
Base-Backbone interact. energy: -0.036
local terms energy: -49.082712
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: 4.015
tors. eta vs tors. theta energy: -7.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -237.917559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.917559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.917559 (E_RNA)
where:
Base-Base interactions energy: -156.379
where: short stacking energy: -80.670
Base-Backbone interact. energy: 0.782
local terms energy: -82.320493
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -21.435
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: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -223.395470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.395470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.395470 (E_RNA)
where:
Base-Base interactions energy: -148.460
where: short stacking energy: -79.862
Base-Backbone interact. energy: -0.032
local terms energy: -74.904189
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -21.116
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: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -225.942429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.942429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.942429 (E_RNA)
where:
Base-Base interactions energy: -150.536
where: short stacking energy: -72.904
Base-Backbone interact. energy: -0.012
local terms energy: -75.394239
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -211.442098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.442098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.442098 (E_RNA)
where:
Base-Base interactions energy: -141.830
where: short stacking energy: -69.921
Base-Backbone interact. energy: -0.024
local terms energy: -69.588385
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -9.715
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: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -199.394534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.394534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.394534 (E_RNA)
where:
Base-Base interactions energy: -135.122
where: short stacking energy: -54.092
Base-Backbone interact. energy: 0.286
local terms energy: -64.558326
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -14.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -191.887710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.887710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.887710 (E_RNA)
where:
Base-Base interactions energy: -129.535
where: short stacking energy: -57.151
Base-Backbone interact. energy: -0.196
local terms energy: -62.156511
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -193.039317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.039317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.039317 (E_RNA)
where:
Base-Base interactions energy: -125.477
where: short stacking energy: -62.688
Base-Backbone interact. energy: -0.487
local terms energy: -67.074440
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -17.834
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: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -156.132549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.132549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.132549 (E_RNA)
where:
Base-Base interactions energy: -104.818
where: short stacking energy: -53.484
Base-Backbone interact. energy: -0.041
local terms energy: -51.273838
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -8.115
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -182.878546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.878546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.878546 (E_RNA)
where:
Base-Base interactions energy: -121.439
where: short stacking energy: -56.929
Base-Backbone interact. energy: -0.309
local terms energy: -61.130488
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -85.887499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.887499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.887499 (E_RNA)
where:
Base-Base interactions energy: -32.931
where: short stacking energy: -32.023
Base-Backbone interact. energy: -0.156
local terms energy: -52.800371
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -235.914700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.914700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.914700 (E_RNA)
where:
Base-Base interactions energy: -157.530
where: short stacking energy: -71.330
Base-Backbone interact. energy: -0.010
local terms energy: -78.374744
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -232.397227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.397227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.397227 (E_RNA)
where:
Base-Base interactions energy: -158.562
where: short stacking energy: -84.496
Base-Backbone interact. energy: -0.001
local terms energy: -73.834223
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -22.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -224.651642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.651642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.651642 (E_RNA)
where:
Base-Base interactions energy: -149.278
where: short stacking energy: -73.733
Base-Backbone interact. energy: -0.788
local terms energy: -74.585364
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -207.391007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.391007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.391007 (E_RNA)
where:
Base-Base interactions energy: -135.483
where: short stacking energy: -63.997
Base-Backbone interact. energy: -0.284
local terms energy: -71.624390
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -19.400
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: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -201.824361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.824361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.824361 (E_RNA)
where:
Base-Base interactions energy: -133.096
where: short stacking energy: -60.570
Base-Backbone interact. energy: -0.277
local terms energy: -68.451467
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -6.800
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: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -195.436586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.436586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.436586 (E_RNA)
where:
Base-Base interactions energy: -125.496
where: short stacking energy: -56.259
Base-Backbone interact. energy: 0.244
local terms energy: -70.183876
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -18.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -165.072426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.072426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.072426 (E_RNA)
where:
Base-Base interactions energy: -103.870
where: short stacking energy: -48.649
Base-Backbone interact. energy: 0.069
local terms energy: -61.271646
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -11.739
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: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -173.482828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.482828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.482828 (E_RNA)
where:
Base-Base interactions energy: -119.849
where: short stacking energy: -64.821
Base-Backbone interact. energy: 0.122
local terms energy: -53.755548
where:
bonds (distance) C4'-P energy: -7.755
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -4.175
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -172.961659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.961659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.961659 (E_RNA)
where:
Base-Base interactions energy: -109.982
where: short stacking energy: -52.441
Base-Backbone interact. energy: -1.351
local terms energy: -61.629413
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -10.733
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -10.323
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: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -86.884130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.884130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.884130 (E_RNA)
where:
Base-Base interactions energy: -36.180
where: short stacking energy: -36.180
Base-Backbone interact. energy: -0.087
local terms energy: -50.617240
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -7.112
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -229.095364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.095364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.095364 (E_RNA)
where:
Base-Base interactions energy: -152.528
where: short stacking energy: -79.515
Base-Backbone interact. energy: -0.001
local terms energy: -76.566924
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -21.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -222.979256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.979256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.979256 (E_RNA)
where:
Base-Base interactions energy: -143.753
where: short stacking energy: -75.600
Base-Backbone interact. energy: -0.219
local terms energy: -79.006988
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -226.514716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.514716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.514716 (E_RNA)
where:
Base-Base interactions energy: -150.985
where: short stacking energy: -76.279
Base-Backbone interact. energy: -0.000
local terms energy: -75.529122
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -20.788
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: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -209.509795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.509795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.509795 (E_RNA)
where:
Base-Base interactions energy: -136.037
where: short stacking energy: -75.321
Base-Backbone interact. energy: 0.344
local terms energy: -73.816712
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -201.493327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.493327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.493327 (E_RNA)
where:
Base-Base interactions energy: -133.360
where: short stacking energy: -65.815
Base-Backbone interact. energy: -0.938
local terms energy: -67.195321
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -11.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -173.242578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.242578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.242578 (E_RNA)
where:
Base-Base interactions energy: -113.468
where: short stacking energy: -63.962
Base-Backbone interact. energy: 0.273
local terms energy: -60.046863
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -8.166
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -13.576
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: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -181.737678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.737678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.737678 (E_RNA)
where:
Base-Base interactions energy: -114.788
where: short stacking energy: -58.186
Base-Backbone interact. energy: -1.347
local terms energy: -65.603097
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -8.408
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: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -176.998231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.998231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.998231 (E_RNA)
where:
Base-Base interactions energy: -120.413
where: short stacking energy: -54.086
Base-Backbone interact. energy: -0.006
local terms energy: -56.579554
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -164.083248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.083248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.083248 (E_RNA)
where:
Base-Base interactions energy: -107.958
where: short stacking energy: -48.268
Base-Backbone interact. energy: -0.163
local terms energy: -55.962024
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -7.536
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: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -90.329925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.329925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.329925 (E_RNA)
where:
Base-Base interactions energy: -42.868
where: short stacking energy: -31.679
Base-Backbone interact. energy: -0.171
local terms energy: -47.291314
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -2.189
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -228.584469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.584469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.584469 (E_RNA)
where:
Base-Base interactions energy: -157.794
where: short stacking energy: -80.881
Base-Backbone interact. energy: -0.001
local terms energy: -70.789779
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -221.299376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.299376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.299376 (E_RNA)
where:
Base-Base interactions energy: -154.096
where: short stacking energy: -71.947
Base-Backbone interact. energy: -0.015
local terms energy: -67.188170
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -228.917885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.917885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.917885 (E_RNA)
where:
Base-Base interactions energy: -149.270
where: short stacking energy: -77.565
Base-Backbone interact. energy: -0.002
local terms energy: -79.646139
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -21.901
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: 344
Temperature: 1.050000
Total energy: -188.074529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.074529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.074529 (E_RNA)
where:
Base-Base interactions energy: -120.115
where: short stacking energy: -67.522
Base-Backbone interact. energy: -0.052
local terms energy: -67.907566
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -8.870
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: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -201.564922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.564922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.564922 (E_RNA)
where:
Base-Base interactions energy: -132.640
where: short stacking energy: -63.029
Base-Backbone interact. energy: -0.535
local terms energy: -68.389697
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -15.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -194.438317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.438317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.438317 (E_RNA)
where:
Base-Base interactions energy: -131.143
where: short stacking energy: -59.857
Base-Backbone interact. energy: 0.694
local terms energy: -63.989588
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -14.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -185.083336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.083336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.083336 (E_RNA)
where:
Base-Base interactions energy: -124.785
where: short stacking energy: -59.538
Base-Backbone interact. energy: -0.091
local terms energy: -60.206855
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -9.655
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: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -160.232911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.232911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.232911 (E_RNA)
where:
Base-Base interactions energy: -99.756
where: short stacking energy: -48.733
Base-Backbone interact. energy: -0.139
local terms energy: -60.338228
where:
bonds (distance) C4'-P energy: -7.805
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -11.562
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: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -155.910566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.910566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.910566 (E_RNA)
where:
Base-Base interactions energy: -92.018
where: short stacking energy: -41.054
Base-Backbone interact. energy: -0.644
local terms energy: -63.248328
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -9.699
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: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -100.820857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.820857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.820857 (E_RNA)
where:
Base-Base interactions energy: -42.597
where: short stacking energy: -36.249
Base-Backbone interact. energy: 0.441
local terms energy: -58.665574
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -10.340
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: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -233.734257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.734257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.734257 (E_RNA)
where:
Base-Base interactions energy: -156.631
where: short stacking energy: -83.067
Base-Backbone interact. energy: -0.053
local terms energy: -77.050182
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -20.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -234.579355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.579355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.579355 (E_RNA)
where:
Base-Base interactions energy: -158.113
where: short stacking energy: -77.887
Base-Backbone interact. energy: -0.086
local terms energy: -76.380092
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -21.587
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: 3, replica: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -211.350689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.350689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.350689 (E_RNA)
where:
Base-Base interactions energy: -144.474
where: short stacking energy: -68.947
Base-Backbone interact. energy: -0.338
local terms energy: -66.538092
where:
bonds (distance) C4'-P energy: -8.644
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -214.637107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.637107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.637107 (E_RNA)
where:
Base-Base interactions energy: -144.381
where: short stacking energy: -72.022
Base-Backbone interact. energy: -0.079
local terms energy: -70.177593
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -180.664543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.664543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.664543 (E_RNA)
where:
Base-Base interactions energy: -119.377
where: short stacking energy: -65.631
Base-Backbone interact. energy: -0.653
local terms energy: -60.634705
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -5.214
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: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -181.338383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.338383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.338383 (E_RNA)
where:
Base-Base interactions energy: -117.330
where: short stacking energy: -56.678
Base-Backbone interact. energy: -0.063
local terms energy: -63.945298
where:
bonds (distance) C4'-P energy: -8.314
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -12.499
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: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -168.756950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.756950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.756950 (E_RNA)
where:
Base-Base interactions energy: -109.569
where: short stacking energy: -50.087
Base-Backbone interact. energy: -0.057
local terms energy: -59.131070
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -9.831
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: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -185.572826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.572826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.572826 (E_RNA)
where:
Base-Base interactions energy: -116.945
where: short stacking energy: -63.919
Base-Backbone interact. energy: -0.458
local terms energy: -68.169182
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -13.342
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: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -172.919894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.919894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.919894 (E_RNA)
where:
Base-Base interactions energy: -106.400
where: short stacking energy: -52.413
Base-Backbone interact. energy: -0.055
local terms energy: -66.465485
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -84.223436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.223436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.223436 (E_RNA)
where:
Base-Base interactions energy: -36.267
where: short stacking energy: -21.269
Base-Backbone interact. energy: -0.754
local terms energy: -47.203226
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -8.410
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: 346
Temperature: 0.900000
Total energy: -224.185534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.185534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.185534 (E_RNA)
where:
Base-Base interactions energy: -150.630
where: short stacking energy: -73.674
Base-Backbone interact. energy: -0.904
local terms energy: -72.651216
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -231.387470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.387470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.387470 (E_RNA)
where:
Base-Base interactions energy: -151.258
where: short stacking energy: -72.968
Base-Backbone interact. energy: -0.179
local terms energy: -79.950200
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -212.687857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.687857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.687857 (E_RNA)
where:
Base-Base interactions energy: -144.511
where: short stacking energy: -75.413
Base-Backbone interact. energy: -0.044
local terms energy: -68.132839
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -208.372367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.372367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.372367 (E_RNA)
where:
Base-Base interactions energy: -138.590
where: short stacking energy: -70.869
Base-Backbone interact. energy: 0.011
local terms energy: -69.793615
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -9.929
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -15.997
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: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -187.898442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.898442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.898442 (E_RNA)
where:
Base-Base interactions energy: -118.288
where: short stacking energy: -60.140
Base-Backbone interact. energy: -0.275
local terms energy: -69.335361
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -15.456
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: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -180.505286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.505286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.505286 (E_RNA)
where:
Base-Base interactions energy: -114.177
where: short stacking energy: -61.094
Base-Backbone interact. energy: -0.027
local terms energy: -66.301672
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -8.799
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: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -157.763460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.763460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.763460 (E_RNA)
where:
Base-Base interactions energy: -102.019
where: short stacking energy: -45.110
Base-Backbone interact. energy: -0.087
local terms energy: -55.657736
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -8.047
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: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -178.540082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.540082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.540082 (E_RNA)
where:
Base-Base interactions energy: -124.512
where: short stacking energy: -55.262
Base-Backbone interact. energy: -0.182
local terms energy: -53.846003
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -7.842
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -148.872451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.872451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.872451 (E_RNA)
where:
Base-Base interactions energy: -97.403
where: short stacking energy: -55.126
Base-Backbone interact. energy: -0.236
local terms energy: -51.233425
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -8.837
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -81.544641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.544641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.544641 (E_RNA)
where:
Base-Base interactions energy: -25.196
where: short stacking energy: -25.196
Base-Backbone interact. energy: -0.281
local terms energy: -56.067394
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -6.675
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: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -231.291095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.291095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.291095 (E_RNA)
where:
Base-Base interactions energy: -152.577
where: short stacking energy: -76.823
Base-Backbone interact. energy: -0.425
local terms energy: -78.289139
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -240.830268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.830268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.830268 (E_RNA)
where:
Base-Base interactions energy: -161.600
where: short stacking energy: -80.294
Base-Backbone interact. energy: -0.889
local terms energy: -78.341042
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -22.331
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: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -194.265612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.265612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.265612 (E_RNA)
where:
Base-Base interactions energy: -125.161
where: short stacking energy: -68.217
Base-Backbone interact. energy: -0.108
local terms energy: -68.996868
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -210.462741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.462741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.462741 (E_RNA)
where:
Base-Base interactions energy: -139.828
where: short stacking energy: -68.769
Base-Backbone interact. energy: -0.001
local terms energy: -70.633569
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -199.901466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.901466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.901466 (E_RNA)
where:
Base-Base interactions energy: -129.881
where: short stacking energy: -64.838
Base-Backbone interact. energy: -0.046
local terms energy: -69.973966
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -180.293248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.293248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.293248 (E_RNA)
where:
Base-Base interactions energy: -113.242
where: short stacking energy: -61.433
Base-Backbone interact. energy: -0.033
local terms energy: -67.018734
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -183.748092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.748092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.748092 (E_RNA)
where:
Base-Base interactions energy: -118.850
where: short stacking energy: -63.845
Base-Backbone interact. energy: -0.647
local terms energy: -64.250945
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -173.434917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.434917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.434917 (E_RNA)
where:
Base-Base interactions energy: -121.471
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.139
local terms energy: -51.824090
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -8.463
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -10.877
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: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -166.709411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.709411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.709411 (E_RNA)
where:
Base-Base interactions energy: -111.155
where: short stacking energy: -57.005
Base-Backbone interact. energy: -0.976
local terms energy: -54.578696
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -9.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -95.048995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.048995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.048995 (E_RNA)
where:
Base-Base interactions energy: -39.178
where: short stacking energy: -35.359
Base-Backbone interact. energy: -0.162
local terms energy: -55.708441
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -8.265
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: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -236.381761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.381761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.381761 (E_RNA)
where:
Base-Base interactions energy: -160.976
where: short stacking energy: -81.255
Base-Backbone interact. energy: -1.196
local terms energy: -74.209918
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -212.375853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.375853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.375853 (E_RNA)
where:
Base-Base interactions energy: -145.149
where: short stacking energy: -65.365
Base-Backbone interact. energy: -0.788
local terms energy: -66.439601
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -204.894122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.894122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.894122 (E_RNA)
where:
Base-Base interactions energy: -128.035
where: short stacking energy: -65.906
Base-Backbone interact. energy: -0.889
local terms energy: -75.969703
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -208.034165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.034165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.034165 (E_RNA)
where:
Base-Base interactions energy: -137.039
where: short stacking energy: -72.421
Base-Backbone interact. energy: 0.121
local terms energy: -71.116200
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -7.038
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: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -213.252145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.252145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.252145 (E_RNA)
where:
Base-Base interactions energy: -144.188
where: short stacking energy: -77.588
Base-Backbone interact. energy: 1.831
local terms energy: -70.895176
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -174.096620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.096620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.096620 (E_RNA)
where:
Base-Base interactions energy: -111.521
where: short stacking energy: -56.760
Base-Backbone interact. energy: -1.437
local terms energy: -61.138863
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -194.366448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.366448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.366448 (E_RNA)
where:
Base-Base interactions energy: -128.403
where: short stacking energy: -59.446
Base-Backbone interact. energy: -0.390
local terms energy: -65.573064
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -18.592
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: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -169.547281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.547281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.547281 (E_RNA)
where:
Base-Base interactions energy: -110.936
where: short stacking energy: -52.871
Base-Backbone interact. energy: -0.028
local terms energy: -58.583529
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -5.274
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: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -141.428461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.428461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.428461 (E_RNA)
where:
Base-Base interactions energy: -93.380
where: short stacking energy: -49.013
Base-Backbone interact. energy: -0.146
local terms energy: -47.901721
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -8.221
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -9.001
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: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -90.254966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.254966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.254966 (E_RNA)
where:
Base-Base interactions energy: -42.420
where: short stacking energy: -41.991
Base-Backbone interact. energy: 0.226
local terms energy: -48.061416
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: 0.153
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: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -244.625891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.625891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.625891 (E_RNA)
where:
Base-Base interactions energy: -163.332
where: short stacking energy: -84.850
Base-Backbone interact. energy: -0.002
local terms energy: -81.292399
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -23.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -204.923106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.923106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.923106 (E_RNA)
where:
Base-Base interactions energy: -129.125
where: short stacking energy: -65.084
Base-Backbone interact. energy: -0.037
local terms energy: -75.761329
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -218.141866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.141866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.141866 (E_RNA)
where:
Base-Base interactions energy: -138.106
where: short stacking energy: -72.406
Base-Backbone interact. energy: -1.210
local terms energy: -78.826607
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -22.132
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: 349
Temperature: 1.050000
Total energy: -222.670762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.670762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.670762 (E_RNA)
where:
Base-Base interactions energy: -151.358
where: short stacking energy: -71.594
Base-Backbone interact. energy: -0.605
local terms energy: -70.707496
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -204.550790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.550790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.550790 (E_RNA)
where:
Base-Base interactions energy: -135.652
where: short stacking energy: -60.147
Base-Backbone interact. energy: -0.038
local terms energy: -68.860992
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -14.587
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: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -183.645225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.645225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.645225 (E_RNA)
where:
Base-Base interactions energy: -117.340
where: short stacking energy: -63.303
Base-Backbone interact. energy: -0.077
local terms energy: -66.228311
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -12.446
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: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -174.396754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.396754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.396754 (E_RNA)
where:
Base-Base interactions energy: -111.140
where: short stacking energy: -57.667
Base-Backbone interact. energy: -0.283
local terms energy: -62.973930
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -10.240
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: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -138.011892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.011892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.011892 (E_RNA)
where:
Base-Base interactions energy: -84.009
where: short stacking energy: -39.318
Base-Backbone interact. energy: 1.865
local terms energy: -55.867839
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -177.014890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.014890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.014890 (E_RNA)
where:
Base-Base interactions energy: -120.264
where: short stacking energy: -53.562
Base-Backbone interact. energy: -0.062
local terms energy: -56.688212
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -8.202
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: 349
Temperature: 1.350000
Total energy: -78.063717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.063717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.063717 (E_RNA)
where:
Base-Base interactions energy: -34.296
where: short stacking energy: -23.951
Base-Backbone interact. energy: -0.393
local terms energy: -43.374315
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: 3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -236.617034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.617034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.617034 (E_RNA)
where:
Base-Base interactions energy: -153.700
where: short stacking energy: -80.302
Base-Backbone interact. energy: -0.329
local terms energy: -82.587715
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -21.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -204.622971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.622971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.622971 (E_RNA)
where:
Base-Base interactions energy: -135.111
where: short stacking energy: -64.797
Base-Backbone interact. energy: -0.376
local terms energy: -69.135195
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -218.659362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.659362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.659362 (E_RNA)
where:
Base-Base interactions energy: -152.748
where: short stacking energy: -71.930
Base-Backbone interact. energy: -0.002
local terms energy: -65.910014
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -19.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -212.527379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.527379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.527379 (E_RNA)
where:
Base-Base interactions energy: -143.549
where: short stacking energy: -67.117
Base-Backbone interact. energy: -0.831
local terms energy: -68.148072
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -11.221
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: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -205.227757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.227757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.227757 (E_RNA)
where:
Base-Base interactions energy: -126.059
where: short stacking energy: -77.460
Base-Backbone interact. energy: -0.268
local terms energy: -78.900416
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -19.419
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: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -192.854127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.854127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.854127 (E_RNA)
where:
Base-Base interactions energy: -118.177
where: short stacking energy: -62.268
Base-Backbone interact. energy: -0.595
local terms energy: -74.082757
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -177.426839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.426839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.426839 (E_RNA)
where:
Base-Base interactions energy: -112.588
where: short stacking energy: -59.631
Base-Backbone interact. energy: -0.011
local terms energy: -64.828133
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -11.805
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: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -101.710716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.710716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.710716 (E_RNA)
where:
Base-Base interactions energy: -43.047
where: short stacking energy: -36.187
Base-Backbone interact. energy: -0.634
local terms energy: -58.029999
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -169.802124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.802124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.802124 (E_RNA)
where:
Base-Base interactions energy: -108.948
where: short stacking energy: -53.618
Base-Backbone interact. energy: -0.206
local terms energy: -60.648921
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -112.681883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.681883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.681883 (E_RNA)
where:
Base-Base interactions energy: -69.342
where: short stacking energy: -40.454
Base-Backbone interact. energy: -0.075
local terms energy: -43.265246
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: 1.509
tors. eta vs tors. theta energy: -7.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -236.273710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.273710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.273710 (E_RNA)
where:
Base-Base interactions energy: -157.608
where: short stacking energy: -78.640
Base-Backbone interact. energy: -1.034
local terms energy: -77.631850
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -210.958612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.958612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.958612 (E_RNA)
where:
Base-Base interactions energy: -135.190
where: short stacking energy: -68.715
Base-Backbone interact. energy: -0.583
local terms energy: -75.186041
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -195.524470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.524470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.524470 (E_RNA)
where:
Base-Base interactions energy: -127.255
where: short stacking energy: -64.706
Base-Backbone interact. energy: 0.972
local terms energy: -69.241717
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -17.452
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: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -206.279861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.279861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.279861 (E_RNA)
where:
Base-Base interactions energy: -129.606
where: short stacking energy: -69.322
Base-Backbone interact. energy: 2.355
local terms energy: -79.028815
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -11.013
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: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -187.751923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.751923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.751923 (E_RNA)
where:
Base-Base interactions energy: -121.510
where: short stacking energy: -60.735
Base-Backbone interact. energy: -0.252
local terms energy: -65.990594
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -177.385931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.385931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.385931 (E_RNA)
where:
Base-Base interactions energy: -111.822
where: short stacking energy: -59.492
Base-Backbone interact. energy: -0.710
local terms energy: -64.853861
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -172.983280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.983280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.983280 (E_RNA)
where:
Base-Base interactions energy: -110.299
where: short stacking energy: -55.292
Base-Backbone interact. energy: 0.808
local terms energy: -63.491997
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -10.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -180.453705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.453705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.453705 (E_RNA)
where:
Base-Base interactions energy: -117.336
where: short stacking energy: -60.753
Base-Backbone interact. energy: 0.005
local terms energy: -63.123059
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -9.128
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: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -110.014663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.014663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.014663 (E_RNA)
where:
Base-Base interactions energy: -44.903
where: short stacking energy: -44.903
Base-Backbone interact. energy: -0.001
local terms energy: -65.110100
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -16.189
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: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -102.886711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.886711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.886711 (E_RNA)
where:
Base-Base interactions energy: -54.220
where: short stacking energy: -32.708
Base-Backbone interact. energy: -0.197
local terms energy: -48.469251
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -9.106
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -237.034496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.034496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.034496 (E_RNA)
where:
Base-Base interactions energy: -156.986
where: short stacking energy: -78.280
Base-Backbone interact. energy: -0.416
local terms energy: -79.632605
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -212.604310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.604310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.604310 (E_RNA)
where:
Base-Base interactions energy: -136.598
where: short stacking energy: -66.911
Base-Backbone interact. energy: -0.001
local terms energy: -76.005921
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -219.421417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.421417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.421417 (E_RNA)
where:
Base-Base interactions energy: -145.292
where: short stacking energy: -76.150
Base-Backbone interact. energy: -0.003
local terms energy: -74.126733
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -200.936074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.936074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.936074 (E_RNA)
where:
Base-Base interactions energy: -130.683
where: short stacking energy: -69.281
Base-Backbone interact. energy: 0.668
local terms energy: -70.921129
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -11.693
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: 5, replica: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -209.791629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.791629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.791629 (E_RNA)
where:
Base-Base interactions energy: -142.254
where: short stacking energy: -73.573
Base-Backbone interact. energy: -0.036
local terms energy: -67.501717
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -168.913712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.913712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.913712 (E_RNA)
where:
Base-Base interactions energy: -107.040
where: short stacking energy: -59.124
Base-Backbone interact. energy: 0.652
local terms energy: -62.526210
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -194.065937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.065937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.065937 (E_RNA)
where:
Base-Base interactions energy: -127.366
where: short stacking energy: -60.642
Base-Backbone interact. energy: -1.015
local terms energy: -65.685099
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -10.345
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: 8, replica: 3
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -162.375572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.375572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.375572 (E_RNA)
where:
Base-Base interactions energy: -110.930
where: short stacking energy: -53.603
Base-Backbone interact. energy: -0.038
local terms energy: -51.407766
where:
bonds (distance) C4'-P energy: -5.733
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -11.066
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: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -83.259528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.259528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.259528 (E_RNA)
where:
Base-Base interactions energy: -33.449
where: short stacking energy: -28.633
Base-Backbone interact. energy: -0.231
local terms energy: -49.579875
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -7.357
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: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -100.009786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.009786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.009786 (E_RNA)
where:
Base-Base interactions energy: -42.550
where: short stacking energy: -38.164
Base-Backbone interact. energy: -0.010
local terms energy: -57.449492
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -8.816
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: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -235.417462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.417462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.417462 (E_RNA)
where:
Base-Base interactions energy: -160.584
where: short stacking energy: -78.829
Base-Backbone interact. energy: -0.990
local terms energy: -73.843090
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -225.137596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.137596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.137596 (E_RNA)
where:
Base-Base interactions energy: -148.780
where: short stacking energy: -74.244
Base-Backbone interact. energy: -0.000
local terms energy: -76.356648
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -21.566
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: 3, replica: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -224.236633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.236633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.236633 (E_RNA)
where:
Base-Base interactions energy: -141.490
where: short stacking energy: -67.985
Base-Backbone interact. energy: -0.080
local terms energy: -82.666330
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -199.285943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.285943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.285943 (E_RNA)
where:
Base-Base interactions energy: -126.321
where: short stacking energy: -62.879
Base-Backbone interact. energy: -0.168
local terms energy: -72.797244
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -191.175456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.175456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.175456 (E_RNA)
where:
Base-Base interactions energy: -116.609
where: short stacking energy: -62.064
Base-Backbone interact. energy: -0.060
local terms energy: -74.506872
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -16.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -192.941580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.941580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.941580 (E_RNA)
where:
Base-Base interactions energy: -126.938
where: short stacking energy: -67.894
Base-Backbone interact. energy: -0.057
local terms energy: -65.946764
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -171.426417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.426417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.426417 (E_RNA)
where:
Base-Base interactions energy: -109.036
where: short stacking energy: -48.132
Base-Backbone interact. energy: -0.874
local terms energy: -61.516367
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -10.133
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: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -179.206935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.206935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.206935 (E_RNA)
where:
Base-Base interactions energy: -114.971
where: short stacking energy: -46.173
Base-Backbone interact. energy: -0.087
local terms energy: -64.149275
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -91.709700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.709700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.709700 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -28.302
Base-Backbone interact. energy: -0.803
local terms energy: -51.368430
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: 0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -85.981415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.981415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.981415 (E_RNA)
where:
Base-Base interactions energy: -40.735
where: short stacking energy: -34.773
Base-Backbone interact. energy: -0.078
local terms energy: -45.168021
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -3.350
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: 1, replica: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -232.100749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.100749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.100749 (E_RNA)
where:
Base-Base interactions energy: -150.160
where: short stacking energy: -72.365
Base-Backbone interact. energy: -0.020
local terms energy: -81.921194
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -237.867767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.867767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.867767 (E_RNA)
where:
Base-Base interactions energy: -154.679
where: short stacking energy: -76.800
Base-Backbone interact. energy: -0.621
local terms energy: -82.567748
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -227.269156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.269156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.269156 (E_RNA)
where:
Base-Base interactions energy: -153.527
where: short stacking energy: -78.608
Base-Backbone interact. energy: -0.266
local terms energy: -73.476684
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -195.733540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.733540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.733540 (E_RNA)
where:
Base-Base interactions energy: -129.707
where: short stacking energy: -68.565
Base-Backbone interact. energy: -0.000
local terms energy: -66.026666
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -205.874739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.874739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.874739 (E_RNA)
where:
Base-Base interactions energy: -139.719
where: short stacking energy: -72.466
Base-Backbone interact. energy: -0.126
local terms energy: -66.029644
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -181.317841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.317841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.317841 (E_RNA)
where:
Base-Base interactions energy: -121.086
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.149
local terms energy: -60.083777
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -193.974004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.974004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.974004 (E_RNA)
where:
Base-Base interactions energy: -136.538
where: short stacking energy: -57.247
Base-Backbone interact. energy: -0.429
local terms energy: -57.006584
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -8.197
flat angles P-C4'-P energy: -8.788
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: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -166.211136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.211136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.211136 (E_RNA)
where:
Base-Base interactions energy: -99.288
where: short stacking energy: -48.266
Base-Backbone interact. energy: -0.303
local terms energy: -66.620661
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -15.489
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: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -105.241681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.241681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.241681 (E_RNA)
where:
Base-Base interactions energy: -61.457
where: short stacking energy: -34.601
Base-Backbone interact. energy: -0.288
local terms energy: -43.496548
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -9.390
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -94.199286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.199286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.199286 (E_RNA)
where:
Base-Base interactions energy: -42.908
where: short stacking energy: -35.014
Base-Backbone interact. energy: -0.036
local terms energy: -51.254753
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -232.438499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.438499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.438499 (E_RNA)
where:
Base-Base interactions energy: -159.853
where: short stacking energy: -82.066
Base-Backbone interact. energy: -0.021
local terms energy: -72.564857
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -229.845033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.845033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.845033 (E_RNA)
where:
Base-Base interactions energy: -153.788
where: short stacking energy: -80.574
Base-Backbone interact. energy: -0.053
local terms energy: -76.003722
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -21.954
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: 4
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -225.895662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.895662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.895662 (E_RNA)
where:
Base-Base interactions energy: -153.725
where: short stacking energy: -74.315
Base-Backbone interact. energy: -0.207
local terms energy: -71.963803
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -9.997
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: 4, replica: 10
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -216.339317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.339317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.339317 (E_RNA)
where:
Base-Base interactions energy: -142.605
where: short stacking energy: -74.960
Base-Backbone interact. energy: -0.060
local terms energy: -73.674411
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -13.243
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: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -210.497180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.497180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.497180 (E_RNA)
where:
Base-Base interactions energy: -134.863
where: short stacking energy: -68.843
Base-Backbone interact. energy: -0.012
local terms energy: -75.621828
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -8.156
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: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -176.507149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.507149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.507149 (E_RNA)
where:
Base-Base interactions energy: -115.502
where: short stacking energy: -48.646
Base-Backbone interact. energy: -0.102
local terms energy: -60.903312
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -12.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -176.002702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.002702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.002702 (E_RNA)
where:
Base-Base interactions energy: -106.533
where: short stacking energy: -57.399
Base-Backbone interact. energy: -0.029
local terms energy: -69.441211
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -169.817673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.817673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.817673 (E_RNA)
where:
Base-Base interactions energy: -104.868
where: short stacking energy: -58.871
Base-Backbone interact. energy: -0.036
local terms energy: -64.914023
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -106.296854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.296854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.296854 (E_RNA)
where:
Base-Base interactions energy: -58.089
where: short stacking energy: -24.439
Base-Backbone interact. energy: -0.534
local terms energy: -47.674190
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -95.356392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.356392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.356392 (E_RNA)
where:
Base-Base interactions energy: -53.478
where: short stacking energy: -31.102
Base-Backbone interact. energy: -0.551
local terms energy: -41.326754
where:
bonds (distance) C4'-P energy: -3.195
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -233.849478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.849478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.849478 (E_RNA)
where:
Base-Base interactions energy: -158.382
where: short stacking energy: -80.412
Base-Backbone interact. energy: -0.243
local terms energy: -75.224571
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -10.079
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: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -231.582319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.582319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.582319 (E_RNA)
where:
Base-Base interactions energy: -154.048
where: short stacking energy: -75.309
Base-Backbone interact. energy: -0.009
local terms energy: -77.525915
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -235.487844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.487844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.487844 (E_RNA)
where:
Base-Base interactions energy: -157.924
where: short stacking energy: -73.376
Base-Backbone interact. energy: -0.022
local terms energy: -77.541922
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -208.640473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.640473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.640473 (E_RNA)
where:
Base-Base interactions energy: -140.907
where: short stacking energy: -70.479
Base-Backbone interact. energy: -0.500
local terms energy: -67.233532
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -205.818517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.818517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.818517 (E_RNA)
where:
Base-Base interactions energy: -132.477
where: short stacking energy: -62.724
Base-Backbone interact. energy: -0.001
local terms energy: -73.340733
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -19.463
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: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -186.702706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.702706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.702706 (E_RNA)
where:
Base-Base interactions energy: -118.456
where: short stacking energy: -55.546
Base-Backbone interact. energy: -0.227
local terms energy: -68.019366
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -16.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -190.552478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.552478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.552478 (E_RNA)
where:
Base-Base interactions energy: -121.492
where: short stacking energy: -60.755
Base-Backbone interact. energy: -0.923
local terms energy: -68.137425
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -16.063
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: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -177.050893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.050893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.050893 (E_RNA)
where:
Base-Base interactions energy: -117.406
where: short stacking energy: -60.133
Base-Backbone interact. energy: -1.040
local terms energy: -58.604800
where:
bonds (distance) C4'-P energy: -4.705
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -10.366
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: 9, replica: 5
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -103.763438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.763438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.763438 (E_RNA)
where:
Base-Base interactions energy: -52.545
where: short stacking energy: -42.773
Base-Backbone interact. energy: -1.416
local terms energy: -49.802643
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -2.943
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: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -87.149384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.149384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.149384 (E_RNA)
where:
Base-Base interactions energy: -34.359
where: short stacking energy: -31.274
Base-Backbone interact. energy: -0.525
local terms energy: -52.265125
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -232.960436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.960436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.960436 (E_RNA)
where:
Base-Base interactions energy: -156.727
where: short stacking energy: -80.445
Base-Backbone interact. energy: 0.066
local terms energy: -76.299894
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -22.020
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: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -233.126842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.126842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.126842 (E_RNA)
where:
Base-Base interactions energy: -157.253
where: short stacking energy: -83.295
Base-Backbone interact. energy: -0.122
local terms energy: -75.751092
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -17.538
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: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -227.785855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.785855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.785855 (E_RNA)
where:
Base-Base interactions energy: -151.401
where: short stacking energy: -79.837
Base-Backbone interact. energy: 0.461
local terms energy: -76.845626
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -21.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -210.012888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.012888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.012888 (E_RNA)
where:
Base-Base interactions energy: -137.705
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.147
local terms energy: -72.160367
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -9.601
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: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -186.445730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.445730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.445730 (E_RNA)
where:
Base-Base interactions energy: -115.539
where: short stacking energy: -60.836
Base-Backbone interact. energy: -0.002
local terms energy: -70.905371
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -205.404052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.404052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.404052 (E_RNA)
where:
Base-Base interactions energy: -133.426
where: short stacking energy: -66.095
Base-Backbone interact. energy: -0.847
local terms energy: -71.130710
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -172.955099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.955099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.955099 (E_RNA)
where:
Base-Base interactions energy: -113.191
where: short stacking energy: -62.833
Base-Backbone interact. energy: -0.124
local terms energy: -59.640195
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -167.656882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.656882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.656882 (E_RNA)
where:
Base-Base interactions energy: -103.169
where: short stacking energy: -48.312
Base-Backbone interact. energy: 2.141
local terms energy: -66.628272
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -85.628543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.628543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.628543 (E_RNA)
where:
Base-Base interactions energy: -39.898
where: short stacking energy: -26.080
Base-Backbone interact. energy: -0.107
local terms energy: -45.624283
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -9.906
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -10.574
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: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -86.124058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.124058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.124058 (E_RNA)
where:
Base-Base interactions energy: -34.729
where: short stacking energy: -34.399
Base-Backbone interact. energy: -0.006
local terms energy: -51.389664
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -237.564021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.564021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.564021 (E_RNA)
where:
Base-Base interactions energy: -159.136
where: short stacking energy: -77.681
Base-Backbone interact. energy: -0.112
local terms energy: -78.315295
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -17.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -231.701733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.701733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.701733 (E_RNA)
where:
Base-Base interactions energy: -152.660
where: short stacking energy: -77.294
Base-Backbone interact. energy: -0.546
local terms energy: -78.495722
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -11.264
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: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -228.787994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.787994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.787994 (E_RNA)
where:
Base-Base interactions energy: -148.695
where: short stacking energy: -73.703
Base-Backbone interact. energy: -0.006
local terms energy: -80.087082
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -19.661
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: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -219.618672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.618672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.618672 (E_RNA)
where:
Base-Base interactions energy: -149.437
where: short stacking energy: -75.964
Base-Backbone interact. energy: -0.004
local terms energy: -70.177786
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -7.202
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: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -201.076117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.076117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.076117 (E_RNA)
where:
Base-Base interactions energy: -127.717
where: short stacking energy: -66.373
Base-Backbone interact. energy: 0.533
local terms energy: -73.891792
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -184.025000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.025000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.025000 (E_RNA)
where:
Base-Base interactions energy: -120.299
where: short stacking energy: -58.474
Base-Backbone interact. energy: -0.349
local terms energy: -63.376932
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -10.171
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -178.560951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.560951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.560951 (E_RNA)
where:
Base-Base interactions energy: -110.689
where: short stacking energy: -58.466
Base-Backbone interact. energy: -0.081
local terms energy: -67.791267
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -15.204
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: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -170.912820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.912820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.912820 (E_RNA)
where:
Base-Base interactions energy: -110.249
where: short stacking energy: -58.179
Base-Backbone interact. energy: -0.196
local terms energy: -60.468000
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -8.710
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: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -86.457491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.457491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.457491 (E_RNA)
where:
Base-Base interactions energy: -40.783
where: short stacking energy: -38.041
Base-Backbone interact. energy: -0.075
local terms energy: -45.598958
where:
bonds (distance) C4'-P energy: -3.746
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -82.928576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.928576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.928576 (E_RNA)
where:
Base-Base interactions energy: -39.012
where: short stacking energy: -39.012
Base-Backbone interact. energy: 0.797
local terms energy: -44.713623
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -6.604
flat angles P-C4'-P energy: -5.144
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: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -234.688272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.688272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.688272 (E_RNA)
where:
Base-Base interactions energy: -155.793
where: short stacking energy: -76.781
Base-Backbone interact. energy: -0.746
local terms energy: -78.149977
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -23.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -234.486639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.486639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.486639 (E_RNA)
where:
Base-Base interactions energy: -156.295
where: short stacking energy: -76.729
Base-Backbone interact. energy: -0.218
local terms energy: -77.974217
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -22.376
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: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -223.127901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.127901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.127901 (E_RNA)
where:
Base-Base interactions energy: -144.481
where: short stacking energy: -74.271
Base-Backbone interact. energy: -0.014
local terms energy: -78.632510
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -207.469171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.469171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.469171 (E_RNA)
where:
Base-Base interactions energy: -135.559
where: short stacking energy: -68.013
Base-Backbone interact. energy: -0.011
local terms energy: -71.898789
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -11.213
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: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -196.675994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.675994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.675994 (E_RNA)
where:
Base-Base interactions energy: -131.544
where: short stacking energy: -70.309
Base-Backbone interact. energy: -0.026
local terms energy: -65.105981
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -16.316
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: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -187.015653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.015653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.015653 (E_RNA)
where:
Base-Base interactions energy: -118.542
where: short stacking energy: -58.200
Base-Backbone interact. energy: 0.076
local terms energy: -68.550270
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -10.230
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: 7, replica: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -171.618615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.618615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.618615 (E_RNA)
where:
Base-Base interactions energy: -118.109
where: short stacking energy: -54.315
Base-Backbone interact. energy: -0.842
local terms energy: -52.668001
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -156.582207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.582207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.582207 (E_RNA)
where:
Base-Base interactions energy: -107.763
where: short stacking energy: -44.482
Base-Backbone interact. energy: -0.073
local terms energy: -48.746714
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -6.857
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -6.328
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: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -155.400098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.400098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.400098 (E_RNA)
where:
Base-Base interactions energy: -98.238
where: short stacking energy: -47.849
Base-Backbone interact. energy: -0.580
local terms energy: -56.581957
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -8.179
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: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -75.581160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.581160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.581160 (E_RNA)
where:
Base-Base interactions energy: -25.289
where: short stacking energy: -25.414
Base-Backbone interact. energy: -0.047
local terms energy: -50.244891
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -7.775
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: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -232.411592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.411592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.411592 (E_RNA)
where:
Base-Base interactions energy: -153.597
where: short stacking energy: -73.340
Base-Backbone interact. energy: 0.380
local terms energy: -79.194556
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -235.082370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.082370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.082370 (E_RNA)
where:
Base-Base interactions energy: -159.769
where: short stacking energy: -79.854
Base-Backbone interact. energy: -0.924
local terms energy: -74.389267
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -10.309
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: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -219.436496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.436496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.436496 (E_RNA)
where:
Base-Base interactions energy: -139.253
where: short stacking energy: -73.320
Base-Backbone interact. energy: -0.042
local terms energy: -80.142102
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -22.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -205.331032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.331032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.331032 (E_RNA)
where:
Base-Base interactions energy: -131.265
where: short stacking energy: -54.148
Base-Backbone interact. energy: -0.339
local terms energy: -73.727161
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -211.465723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.465723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.465723 (E_RNA)
where:
Base-Base interactions energy: -138.751
where: short stacking energy: -65.895
Base-Backbone interact. energy: -0.013
local terms energy: -72.702031
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -172.777062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.777062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.777062 (E_RNA)
where:
Base-Base interactions energy: -112.187
where: short stacking energy: -56.366
Base-Backbone interact. energy: -0.060
local terms energy: -60.530087
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -13.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -166.988540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.988540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.988540 (E_RNA)
where:
Base-Base interactions energy: -111.280
where: short stacking energy: -55.124
Base-Backbone interact. energy: -0.994
local terms energy: -54.714577
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -8.201
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: 8, replica: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -155.188752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.188752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.188752 (E_RNA)
where:
Base-Base interactions energy: -100.361
where: short stacking energy: -49.504
Base-Backbone interact. energy: -0.218
local terms energy: -54.610558
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -5.555
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: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -161.799680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.799680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.799680 (E_RNA)
where:
Base-Base interactions energy: -98.292
where: short stacking energy: -43.402
Base-Backbone interact. energy: -0.005
local terms energy: -63.502179
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -8.130
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: 10, replica: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -83.649220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.649220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.649220 (E_RNA)
where:
Base-Base interactions energy: -31.821
where: short stacking energy: -33.821
Base-Backbone interact. energy: -0.171
local terms energy: -51.657128
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -7.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -244.266852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.266852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.266852 (E_RNA)
where:
Base-Base interactions energy: -160.632
where: short stacking energy: -83.378
Base-Backbone interact. energy: -0.240
local terms energy: -83.394908
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -236.445230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.445230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.445230 (E_RNA)
where:
Base-Base interactions energy: -156.971
where: short stacking energy: -74.989
Base-Backbone interact. energy: -0.625
local terms energy: -78.849133
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -21.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -213.242216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.242216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.242216 (E_RNA)
where:
Base-Base interactions energy: -138.785
where: short stacking energy: -67.026
Base-Backbone interact. energy: -0.012
local terms energy: -74.445139
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -20.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -219.051972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.051972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.051972 (E_RNA)
where:
Base-Base interactions energy: -144.998
where: short stacking energy: -75.233
Base-Backbone interact. energy: -0.008
local terms energy: -74.046403
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -18.831
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: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -196.909172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.909172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.909172 (E_RNA)
where:
Base-Base interactions energy: -134.110
where: short stacking energy: -66.294
Base-Backbone interact. energy: -0.089
local terms energy: -62.709506
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -176.076830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.076830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.076830 (E_RNA)
where:
Base-Base interactions energy: -104.660
where: short stacking energy: -51.854
Base-Backbone interact. energy: 0.273
local terms energy: -71.689778
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -11.067
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: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -169.899526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.899526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.899526 (E_RNA)
where:
Base-Base interactions energy: -106.144
where: short stacking energy: -51.979
Base-Backbone interact. energy: -0.003
local terms energy: -63.753467
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -174.333848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.333848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.333848 (E_RNA)
where:
Base-Base interactions energy: -111.654
where: short stacking energy: -59.918
Base-Backbone interact. energy: -0.103
local terms energy: -62.577733
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -161.036999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.036999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.036999 (E_RNA)
where:
Base-Base interactions energy: -104.392
where: short stacking energy: -49.416
Base-Backbone interact. energy: 0.740
local terms energy: -57.384605
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -79.831603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.831603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.831603 (E_RNA)
where:
Base-Base interactions energy: -36.195
where: short stacking energy: -36.195
Base-Backbone interact. energy: 2.136
local terms energy: -45.771973
where:
bonds (distance) C4'-P energy: -8.324
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -1.693
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: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -237.620269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.620269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.620269 (E_RNA)
where:
Base-Base interactions energy: -158.346
where: short stacking energy: -88.033
Base-Backbone interact. energy: -0.292
local terms energy: -78.982411
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -20.929
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: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -235.546043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.546043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.546043 (E_RNA)
where:
Base-Base interactions energy: -158.802
where: short stacking energy: -83.498
Base-Backbone interact. energy: -0.030
local terms energy: -76.714363
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -19.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -226.364243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.364243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.364243 (E_RNA)
where:
Base-Base interactions energy: -149.022
where: short stacking energy: -73.868
Base-Backbone interact. energy: -1.282
local terms energy: -76.060376
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -13.306
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: 4, replica: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -217.806383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.806383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.806383 (E_RNA)
where:
Base-Base interactions energy: -139.062
where: short stacking energy: -73.593
Base-Backbone interact. energy: -0.077
local terms energy: -78.667470
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -193.741371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.741371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.741371 (E_RNA)
where:
Base-Base interactions energy: -129.472
where: short stacking energy: -70.357
Base-Backbone interact. energy: -0.043
local terms energy: -64.225788
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -186.482804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.482804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.482804 (E_RNA)
where:
Base-Base interactions energy: -125.828
where: short stacking energy: -57.180
Base-Backbone interact. energy: -0.009
local terms energy: -60.646568
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -172.700818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.700818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.700818 (E_RNA)
where:
Base-Base interactions energy: -112.314
where: short stacking energy: -60.478
Base-Backbone interact. energy: -0.900
local terms energy: -59.486511
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -7.294
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -180.732935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.732935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.732935 (E_RNA)
where:
Base-Base interactions energy: -115.352
where: short stacking energy: -49.064
Base-Backbone interact. energy: -0.513
local terms energy: -64.867942
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -13.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -164.169370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.169370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.169370 (E_RNA)
where:
Base-Base interactions energy: -104.177
where: short stacking energy: -55.056
Base-Backbone interact. energy: -0.105
local terms energy: -59.888043
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -11.036
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: 10, replica: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -87.945380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.945380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.945380 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -36.095
Base-Backbone interact. energy: -0.138
local terms energy: -51.711706
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -242.356087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.356087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.356087 (E_RNA)
where:
Base-Base interactions energy: -158.105
where: short stacking energy: -81.164
Base-Backbone interact. energy: -0.000
local terms energy: -84.251275
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -234.505443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.505443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.505443 (E_RNA)
where:
Base-Base interactions energy: -153.377
where: short stacking energy: -70.929
Base-Backbone interact. energy: -0.412
local terms energy: -80.715793
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -222.618215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.618215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.618215 (E_RNA)
where:
Base-Base interactions energy: -147.011
where: short stacking energy: -69.077
Base-Backbone interact. energy: -0.012
local terms energy: -75.594986
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -19.510
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: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -227.371860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.371860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.371860 (E_RNA)
where:
Base-Base interactions energy: -155.568
where: short stacking energy: -77.054
Base-Backbone interact. energy: -0.002
local terms energy: -71.801265
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -10.869
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: 5, replica: 7
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -200.615410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.615410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.615410 (E_RNA)
where:
Base-Base interactions energy: -136.049
where: short stacking energy: -65.972
Base-Backbone interact. energy: -0.095
local terms energy: -64.471700
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -13.730
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: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -196.689718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.689718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.689718 (E_RNA)
where:
Base-Base interactions energy: -123.139
where: short stacking energy: -70.016
Base-Backbone interact. energy: -0.038
local terms energy: -73.512881
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -180.787520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.787520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.787520 (E_RNA)
where:
Base-Base interactions energy: -118.381
where: short stacking energy: -64.837
Base-Backbone interact. energy: -0.044
local terms energy: -62.362183
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -11.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -169.650928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.650928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.650928 (E_RNA)
where:
Base-Base interactions energy: -104.531
where: short stacking energy: -53.178
Base-Backbone interact. energy: 0.095
local terms energy: -65.214986
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -11.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -159.958660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.958660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.958660 (E_RNA)
where:
Base-Base interactions energy: -104.986
where: short stacking energy: -46.066
Base-Backbone interact. energy: -0.764
local terms energy: -54.208679
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -10.562
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: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -98.882649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.882649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.882649 (E_RNA)
where:
Base-Base interactions energy: -55.955
where: short stacking energy: -27.248
Base-Backbone interact. energy: -0.036
local terms energy: -42.891464
where:
bonds (distance) C4'-P energy: -5.708
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -238.856167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.856167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.856167 (E_RNA)
where:
Base-Base interactions energy: -159.481
where: short stacking energy: -80.873
Base-Backbone interact. energy: -0.190
local terms energy: -79.185040
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -229.596783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.596783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.596783 (E_RNA)
where:
Base-Base interactions energy: -156.028
where: short stacking energy: -79.489
Base-Backbone interact. energy: 0.729
local terms energy: -74.298190
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -9.980
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: 3, replica: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -224.034974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.034974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.034974 (E_RNA)
where:
Base-Base interactions energy: -150.067
where: short stacking energy: -70.275
Base-Backbone interact. energy: -0.090
local terms energy: -73.878120
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -11.214
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: 4, replica: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -199.206048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.206048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.206048 (E_RNA)
where:
Base-Base interactions energy: -134.417
where: short stacking energy: -66.632
Base-Backbone interact. energy: -0.359
local terms energy: -64.429781
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -6.017
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -210.952616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.952616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.952616 (E_RNA)
where:
Base-Base interactions energy: -137.991
where: short stacking energy: -69.717
Base-Backbone interact. energy: -0.383
local terms energy: -72.578425
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -18.494
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: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -197.270699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.270699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.270699 (E_RNA)
where:
Base-Base interactions energy: -126.456
where: short stacking energy: -65.164
Base-Backbone interact. energy: -0.008
local terms energy: -70.806419
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -9.246
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: 7, replica: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -165.035044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.035044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.035044 (E_RNA)
where:
Base-Base interactions energy: -104.378
where: short stacking energy: -52.240
Base-Backbone interact. energy: -0.362
local terms energy: -60.294578
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -8.233
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: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -181.190566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.190566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.190566 (E_RNA)
where:
Base-Base interactions energy: -116.487
where: short stacking energy: -58.508
Base-Backbone interact. energy: -0.010
local terms energy: -64.693757
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -9.133
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -165.850743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.850743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.850743 (E_RNA)
where:
Base-Base interactions energy: -104.529
where: short stacking energy: -56.182
Base-Backbone interact. energy: -0.010
local terms energy: -61.312389
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -12.688
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: 5
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -86.472141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.472141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.472141 (E_RNA)
where:
Base-Base interactions energy: -38.199
where: short stacking energy: -38.199
Base-Backbone interact. energy: -0.083
local terms energy: -48.189617
where:
bonds (distance) C4'-P energy: -4.939
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -7.657
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: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -239.423562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.423562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.423562 (E_RNA)
where:
Base-Base interactions energy: -161.340
where: short stacking energy: -81.455
Base-Backbone interact. energy: -0.225
local terms energy: -77.858354
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -7.151
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: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -232.480817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.480817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.480817 (E_RNA)
where:
Base-Base interactions energy: -154.846
where: short stacking energy: -73.560
Base-Backbone interact. energy: -0.501
local terms energy: -77.133274
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -227.159132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.159132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.159132 (E_RNA)
where:
Base-Base interactions energy: -153.674
where: short stacking energy: -71.435
Base-Backbone interact. energy: -0.241
local terms energy: -73.243954
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -18.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -213.194761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.194761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.194761 (E_RNA)
where:
Base-Base interactions energy: -139.887
where: short stacking energy: -70.391
Base-Backbone interact. energy: -0.648
local terms energy: -72.659162
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -206.849324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.849324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.849324 (E_RNA)
where:
Base-Base interactions energy: -134.922
where: short stacking energy: -79.339
Base-Backbone interact. energy: -0.002
local terms energy: -71.925380
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -9.093
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: 6, replica: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -162.800183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.800183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.800183 (E_RNA)
where:
Base-Base interactions energy: -104.238
where: short stacking energy: -47.672
Base-Backbone interact. energy: -1.260
local terms energy: -57.302322
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -9.298
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: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -188.862474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.862474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.862474 (E_RNA)
where:
Base-Base interactions energy: -126.142
where: short stacking energy: -64.780
Base-Backbone interact. energy: -0.046
local terms energy: -62.674278
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -197.250466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.250466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.250466 (E_RNA)
where:
Base-Base interactions energy: -126.984
where: short stacking energy: -61.041
Base-Backbone interact. energy: -1.914
local terms energy: -68.352435
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -17.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -168.098346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.098346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.098346 (E_RNA)
where:
Base-Base interactions energy: -106.955
where: short stacking energy: -48.680
Base-Backbone interact. energy: -0.157
local terms energy: -60.986654
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -13.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -88.306143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.306143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.306143 (E_RNA)
where:
Base-Base interactions energy: -36.061
where: short stacking energy: -32.668
Base-Backbone interact. energy: 1.000
local terms energy: -53.244595
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -228.877114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.877114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.877114 (E_RNA)
where:
Base-Base interactions energy: -148.627
where: short stacking energy: -75.771
Base-Backbone interact. energy: 0.062
local terms energy: -80.312165
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -13.199
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: 2, replica: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -230.651110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.651110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.651110 (E_RNA)
where:
Base-Base interactions energy: -156.838
where: short stacking energy: -82.720
Base-Backbone interact. energy: -0.010
local terms energy: -73.803308
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -21.637
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: 3, replica: 6
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -222.794454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.794454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.794454 (E_RNA)
where:
Base-Base interactions energy: -147.220
where: short stacking energy: -70.524
Base-Backbone interact. energy: -0.014
local terms energy: -75.560949
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -20.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -209.394443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.394443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.394443 (E_RNA)
where:
Base-Base interactions energy: -135.507
where: short stacking energy: -77.252
Base-Backbone interact. energy: -0.355
local terms energy: -73.532503
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -207.489965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.489965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.489965 (E_RNA)
where:
Base-Base interactions energy: -145.386
where: short stacking energy: -73.543
Base-Backbone interact. energy: 0.505
local terms energy: -62.609309
where:
bonds (distance) C4'-P energy: -7.476
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -9.897
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: 6, replica: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -173.661808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.661808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.661808 (E_RNA)
where:
Base-Base interactions energy: -112.741
where: short stacking energy: -61.581
Base-Backbone interact. energy: -0.025
local terms energy: -60.895660
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -204.490297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.490297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.490297 (E_RNA)
where:
Base-Base interactions energy: -131.808
where: short stacking energy: -62.490
Base-Backbone interact. energy: -0.316
local terms energy: -72.366389
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -160.039675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.039675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.039675 (E_RNA)
where:
Base-Base interactions energy: -105.069
where: short stacking energy: -52.627
Base-Backbone interact. energy: -0.029
local terms energy: -54.941462
where:
bonds (distance) C4'-P energy: -7.173
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -12.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -161.512217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.512217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.512217 (E_RNA)
where:
Base-Base interactions energy: -103.224
where: short stacking energy: -50.365
Base-Backbone interact. energy: -0.412
local terms energy: -57.876117
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -10.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -79.498732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.498732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.498732 (E_RNA)
where:
Base-Base interactions energy: -33.149
where: short stacking energy: -25.630
Base-Backbone interact. energy: -0.088
local terms energy: -46.261867
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -230.332896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.332896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.332896 (E_RNA)
where:
Base-Base interactions energy: -153.015
where: short stacking energy: -74.303
Base-Backbone interact. energy: -0.041
local terms energy: -77.276076
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -232.465965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.465965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.465965 (E_RNA)
where:
Base-Base interactions energy: -154.657
where: short stacking energy: -78.410
Base-Backbone interact. energy: -0.174
local terms energy: -77.634245
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -22.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -231.462136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.462136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.462136 (E_RNA)
where:
Base-Base interactions energy: -148.626
where: short stacking energy: -73.538
Base-Backbone interact. energy: -0.042
local terms energy: -82.794572
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -196.420107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.420107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.420107 (E_RNA)
where:
Base-Base interactions energy: -129.453
where: short stacking energy: -67.559
Base-Backbone interact. energy: -0.717
local terms energy: -66.250040
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -13.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -190.989054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.989054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.989054 (E_RNA)
where:
Base-Base interactions energy: -120.151
where: short stacking energy: -59.317
Base-Backbone interact. energy: -0.029
local terms energy: -70.808512
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -12.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -189.893255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.893255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.893255 (E_RNA)
where:
Base-Base interactions energy: -125.289
where: short stacking energy: -64.521
Base-Backbone interact. energy: -0.027
local terms energy: -64.577162
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -13.655
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: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -174.642131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.642131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.642131 (E_RNA)
where:
Base-Base interactions energy: -106.260
where: short stacking energy: -49.609
Base-Backbone interact. energy: 1.171
local terms energy: -69.552821
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -166.208071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.208071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.208071 (E_RNA)
where:
Base-Base interactions energy: -107.944
where: short stacking energy: -51.264
Base-Backbone interact. energy: -0.579
local terms energy: -57.684535
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -12.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -170.625007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.625007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.625007 (E_RNA)
where:
Base-Base interactions energy: -114.396
where: short stacking energy: -59.716
Base-Backbone interact. energy: -0.445
local terms energy: -55.784213
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -7.899
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -85.860625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.860625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.860625 (E_RNA)
where:
Base-Base interactions energy: -40.410
where: short stacking energy: -34.753
Base-Backbone interact. energy: -0.811
local terms energy: -44.639644
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: -2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -234.289202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.289202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.289202 (E_RNA)
where:
Base-Base interactions energy: -158.743
where: short stacking energy: -75.532
Base-Backbone interact. energy: -0.002
local terms energy: -75.544769
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -22.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -225.849770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.849770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.849770 (E_RNA)
where:
Base-Base interactions energy: -148.944
where: short stacking energy: -72.611
Base-Backbone interact. energy: -0.003
local terms energy: -76.902594
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -20.348
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: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -234.586251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.586251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.586251 (E_RNA)
where:
Base-Base interactions energy: -156.523
where: short stacking energy: -76.760
Base-Backbone interact. energy: -0.001
local terms energy: -78.061709
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -186.634495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.634495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.634495 (E_RNA)
where:
Base-Base interactions energy: -115.462
where: short stacking energy: -56.338
Base-Backbone interact. energy: -0.084
local terms energy: -71.087923
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -183.656364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.656364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.656364 (E_RNA)
where:
Base-Base interactions energy: -122.416
where: short stacking energy: -56.827
Base-Backbone interact. energy: 4.113
local terms energy: -65.353175
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -10.278
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: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -193.511536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.511536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.511536 (E_RNA)
where:
Base-Base interactions energy: -128.291
where: short stacking energy: -64.134
Base-Backbone interact. energy: -0.626
local terms energy: -64.594291
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -183.564088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.564088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.564088 (E_RNA)
where:
Base-Base interactions energy: -118.325
where: short stacking energy: -63.616
Base-Backbone interact. energy: -0.004
local terms energy: -65.235548
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -173.968583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.968583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.968583 (E_RNA)
where:
Base-Base interactions energy: -115.058
where: short stacking energy: -57.387
Base-Backbone interact. energy: -0.033
local terms energy: -58.877643
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -2.202
tors. eta vs tors. theta energy: -11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -168.149142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.149142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.149142 (E_RNA)
where:
Base-Base interactions energy: -112.521
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.057
local terms energy: -55.571650
where:
bonds (distance) C4'-P energy: -7.305
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -11.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -111.954726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.954726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.954726 (E_RNA)
where:
Base-Base interactions energy: -67.416
where: short stacking energy: -30.903
Base-Backbone interact. energy: -0.030
local terms energy: -44.509037
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -230.703947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.703947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.703947 (E_RNA)
where:
Base-Base interactions energy: -156.951
where: short stacking energy: -73.146
Base-Backbone interact. energy: -0.987
local terms energy: -72.766772
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -23.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -229.645933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.645933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.645933 (E_RNA)
where:
Base-Base interactions energy: -154.975
where: short stacking energy: -78.227
Base-Backbone interact. energy: 0.099
local terms energy: -74.770107
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -228.818781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.818781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.818781 (E_RNA)
where:
Base-Base interactions energy: -153.783
where: short stacking energy: -71.762
Base-Backbone interact. energy: -0.041
local terms energy: -74.995182
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -8.895
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: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -192.345721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.345721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.345721 (E_RNA)
where:
Base-Base interactions energy: -125.055
where: short stacking energy: -69.512
Base-Backbone interact. energy: -0.194
local terms energy: -67.096141
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -9.179
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: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -210.125303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.125303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.125303 (E_RNA)
where:
Base-Base interactions energy: -138.344
where: short stacking energy: -64.348
Base-Backbone interact. energy: -0.427
local terms energy: -71.354376
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -12.735
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: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -177.542790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.542790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.542790 (E_RNA)
where:
Base-Base interactions energy: -116.651
where: short stacking energy: -66.717
Base-Backbone interact. energy: -0.158
local terms energy: -60.733137
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -8.083
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -15.446
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: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -192.494547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.494547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.494547 (E_RNA)
where:
Base-Base interactions energy: -123.626
where: short stacking energy: -59.093
Base-Backbone interact. energy: -0.029
local terms energy: -68.839561
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -174.739601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.739601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.739601 (E_RNA)
where:
Base-Base interactions energy: -112.710
where: short stacking energy: -52.982
Base-Backbone interact. energy: -0.200
local terms energy: -61.830137
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -9.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -162.652582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.652582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.652582 (E_RNA)
where:
Base-Base interactions energy: -106.294
where: short stacking energy: -56.108
Base-Backbone interact. energy: -0.695
local terms energy: -55.663458
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -2.980
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -83.676667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.676667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.676667 (E_RNA)
where:
Base-Base interactions energy: -40.649
where: short stacking energy: -23.060
Base-Backbone interact. energy: 0.794
local terms energy: -43.821615
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -0.185
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -236.508927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.508927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.508927 (E_RNA)
where:
Base-Base interactions energy: -159.049
where: short stacking energy: -76.549
Base-Backbone interact. energy: -0.300
local terms energy: -77.159561
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -228.651376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.651376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.651376 (E_RNA)
where:
Base-Base interactions energy: -149.558
where: short stacking energy: -73.696
Base-Backbone interact. energy: -0.672
local terms energy: -78.421607
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -19.769
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: 3, replica: 6
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -226.851174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.851174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.851174 (E_RNA)
where:
Base-Base interactions energy: -152.097
where: short stacking energy: -81.257
Base-Backbone interact. energy: -0.000
local terms energy: -74.753510
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -204.617366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.617366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.617366 (E_RNA)
where:
Base-Base interactions energy: -138.920
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.260
local terms energy: -65.438111
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -214.515223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.515223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.515223 (E_RNA)
where:
Base-Base interactions energy: -138.359
where: short stacking energy: -67.544
Base-Backbone interact. energy: -0.716
local terms energy: -75.440783
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -17.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -174.685714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.685714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.685714 (E_RNA)
where:
Base-Base interactions energy: -115.715
where: short stacking energy: -62.751
Base-Backbone interact. energy: 0.035
local terms energy: -59.005817
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -10.220
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -13.075
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: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -164.040075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.040075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.040075 (E_RNA)
where:
Base-Base interactions energy: -103.218
where: short stacking energy: -48.619
Base-Backbone interact. energy: -0.005
local terms energy: -60.816878
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -10.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -161.584953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.584953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.584953 (E_RNA)
where:
Base-Base interactions energy: -100.195
where: short stacking energy: -47.227
Base-Backbone interact. energy: -1.654
local terms energy: -59.736434
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -1.547
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -99.440457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.440457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.440457 (E_RNA)
where:
Base-Base interactions energy: -46.113
where: short stacking energy: -25.758
Base-Backbone interact. energy: -0.132
local terms energy: -53.195586
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -168.287643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.287643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.287643 (E_RNA)
where:
Base-Base interactions energy: -108.990
where: short stacking energy: -52.096
Base-Backbone interact. energy: -0.300
local terms energy: -58.997102
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -7.627
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -241.742328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.742328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.742328 (E_RNA)
where:
Base-Base interactions energy: -159.467
where: short stacking energy: -82.872
Base-Backbone interact. energy: -0.047
local terms energy: -82.228329
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -19.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -235.779382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.779382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.779382 (E_RNA)
where:
Base-Base interactions energy: -152.067
where: short stacking energy: -74.001
Base-Backbone interact. energy: -0.867
local terms energy: -82.846374
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -219.883162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.883162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.883162 (E_RNA)
where:
Base-Base interactions energy: -145.690
where: short stacking energy: -75.415
Base-Backbone interact. energy: -0.337
local terms energy: -73.856764
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -22.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -206.020366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.020366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.020366 (E_RNA)
where:
Base-Base interactions energy: -134.726
where: short stacking energy: -52.103
Base-Backbone interact. energy: -0.152
local terms energy: -71.142292
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -14.482
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: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -205.112414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.112414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.112414 (E_RNA)
where:
Base-Base interactions energy: -140.782
where: short stacking energy: -65.158
Base-Backbone interact. energy: -0.668
local terms energy: -63.662502
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -9.392
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -9.704
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: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -165.661828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.661828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.661828 (E_RNA)
where:
Base-Base interactions energy: -110.235
where: short stacking energy: -50.318
Base-Backbone interact. energy: -0.134
local terms energy: -55.292907
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -9.825
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: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -179.606102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.606102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.606102 (E_RNA)
where:
Base-Base interactions energy: -116.963
where: short stacking energy: -63.329
Base-Backbone interact. energy: -0.422
local terms energy: -62.221277
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -13.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -179.258812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.258812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.258812 (E_RNA)
where:
Base-Base interactions energy: -113.765
where: short stacking energy: -50.639
Base-Backbone interact. energy: -0.179
local terms energy: -65.314192
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -10.872
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: 371
Temperature: 1.300000
Total energy: -107.154797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.154797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.154797 (E_RNA)
where:
Base-Base interactions energy: -55.851
where: short stacking energy: -39.908
Base-Backbone interact. energy: -0.212
local terms energy: -51.091388
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -3.942
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: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -157.828345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.828345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.828345 (E_RNA)
where:
Base-Base interactions energy: -102.483
where: short stacking energy: -52.425
Base-Backbone interact. energy: -0.010
local terms energy: -55.334803
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -241.248186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.248186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.248186 (E_RNA)
where:
Base-Base interactions energy: -156.763
where: short stacking energy: -80.605
Base-Backbone interact. energy: -0.041
local terms energy: -84.444117
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -22.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -236.184452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.184452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.184452 (E_RNA)
where:
Base-Base interactions energy: -156.045
where: short stacking energy: -75.571
Base-Backbone interact. energy: -0.285
local terms energy: -79.854403
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -219.799584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.799584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.799584 (E_RNA)
where:
Base-Base interactions energy: -144.756
where: short stacking energy: -67.095
Base-Backbone interact. energy: -0.122
local terms energy: -74.921124
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -200.789818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.789818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.789818 (E_RNA)
where:
Base-Base interactions energy: -135.341
where: short stacking energy: -70.456
Base-Backbone interact. energy: -0.291
local terms energy: -65.157483
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -15.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -212.850907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.850907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.850907 (E_RNA)
where:
Base-Base interactions energy: -150.156
where: short stacking energy: -78.210
Base-Backbone interact. energy: -0.097
local terms energy: -62.597763
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -172.142252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.142252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.142252 (E_RNA)
where:
Base-Base interactions energy: -104.738
where: short stacking energy: -49.376
Base-Backbone interact. energy: 0.412
local terms energy: -67.816270
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -9.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -176.238049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.238049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.238049 (E_RNA)
where:
Base-Base interactions energy: -119.836
where: short stacking energy: -55.847
Base-Backbone interact. energy: -0.008
local terms energy: -56.393716
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -6.517
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -15.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -166.506540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.506540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.506540 (E_RNA)
where:
Base-Base interactions energy: -110.590
where: short stacking energy: -52.849
Base-Backbone interact. energy: -0.073
local terms energy: -55.843945
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -11.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -168.518487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.518487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.518487 (E_RNA)
where:
Base-Base interactions energy: -106.823
where: short stacking energy: -52.139
Base-Backbone interact. energy: -0.167
local terms energy: -61.528235
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -14.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -88.303192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.303192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.303192 (E_RNA)
where:
Base-Base interactions energy: -39.474
where: short stacking energy: -31.529
Base-Backbone interact. energy: -1.627
local terms energy: -47.201677
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -8.467
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: 0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -236.720622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.720622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.720622 (E_RNA)
where:
Base-Base interactions energy: -158.474
where: short stacking energy: -79.709
Base-Backbone interact. energy: -0.064
local terms energy: -78.182134
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -11.992
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: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -233.666497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.666497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.666497 (E_RNA)
where:
Base-Base interactions energy: -156.471
where: short stacking energy: -77.832
Base-Backbone interact. energy: -0.072
local terms energy: -77.123820
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -20.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -221.754712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.754712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.754712 (E_RNA)
where:
Base-Base interactions energy: -149.364
where: short stacking energy: -73.224
Base-Backbone interact. energy: -0.003
local terms energy: -72.387423
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -206.646426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.646426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.646426 (E_RNA)
where:
Base-Base interactions energy: -135.076
where: short stacking energy: -67.296
Base-Backbone interact. energy: -0.032
local terms energy: -71.538953
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -201.271301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.271301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.271301 (E_RNA)
where:
Base-Base interactions energy: -136.467
where: short stacking energy: -64.972
Base-Backbone interact. energy: -0.191
local terms energy: -64.613514
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -186.267100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.267100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.267100 (E_RNA)
where:
Base-Base interactions energy: -117.424
where: short stacking energy: -62.997
Base-Backbone interact. energy: -0.039
local terms energy: -68.804863
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -7.943
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -183.426891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.426891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.426891 (E_RNA)
where:
Base-Base interactions energy: -124.280
where: short stacking energy: -60.745
Base-Backbone interact. energy: -0.068
local terms energy: -59.078628
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -3.580
tors. eta vs tors. theta energy: -12.231
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: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -173.721292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.721292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.721292 (E_RNA)
where:
Base-Base interactions energy: -107.576
where: short stacking energy: -48.641
Base-Backbone interact. energy: -0.002
local terms energy: -66.143750
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -10.171
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -184.611366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.611366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.611366 (E_RNA)
where:
Base-Base interactions energy: -114.896
where: short stacking energy: -54.315
Base-Backbone interact. energy: -0.104
local terms energy: -69.611001
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -12.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -128.812890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.812890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.812890 (E_RNA)
where:
Base-Base interactions energy: -81.839
where: short stacking energy: -35.891
Base-Backbone interact. energy: -0.302
local terms energy: -46.672096
where:
bonds (distance) C4'-P energy: -5.606
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -5.413
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: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -233.057710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.057710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.057710 (E_RNA)
where:
Base-Base interactions energy: -157.394
where: short stacking energy: -78.389
Base-Backbone interact. energy: -0.506
local terms energy: -75.158147
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -19.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -233.049753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.049753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.049753 (E_RNA)
where:
Base-Base interactions energy: -155.957
where: short stacking energy: -80.233
Base-Backbone interact. energy: 0.279
local terms energy: -77.371794
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -22.188
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: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -231.300392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.300392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.300392 (E_RNA)
where:
Base-Base interactions energy: -155.516
where: short stacking energy: -75.162
Base-Backbone interact. energy: -0.054
local terms energy: -75.729891
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -205.678399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.678399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.678399 (E_RNA)
where:
Base-Base interactions energy: -137.648
where: short stacking energy: -69.210
Base-Backbone interact. energy: -0.918
local terms energy: -67.112460
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -226.187306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.187306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.187306 (E_RNA)
where:
Base-Base interactions energy: -151.577
where: short stacking energy: -75.364
Base-Backbone interact. energy: -0.000
local terms energy: -74.609558
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -7.596
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: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -187.176111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.176111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.176111 (E_RNA)
where:
Base-Base interactions energy: -130.847
where: short stacking energy: -58.212
Base-Backbone interact. energy: 0.445
local terms energy: -56.774453
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -178.268969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.268969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.268969 (E_RNA)
where:
Base-Base interactions energy: -112.384
where: short stacking energy: -56.792
Base-Backbone interact. energy: -0.175
local terms energy: -65.710049
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -172.778265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.778265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.778265 (E_RNA)
where:
Base-Base interactions energy: -112.768
where: short stacking energy: -54.729
Base-Backbone interact. energy: 0.530
local terms energy: -60.539592
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -9.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -169.613773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.613773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.613773 (E_RNA)
where:
Base-Base interactions energy: -98.897
where: short stacking energy: -55.492
Base-Backbone interact. energy: 2.364
local terms energy: -73.080564
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -13.342
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: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -101.088548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.088548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.088548 (E_RNA)
where:
Base-Base interactions energy: -54.366
where: short stacking energy: -40.842
Base-Backbone interact. energy: -0.252
local terms energy: -46.470201
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -0.847
tors. eta vs tors. theta energy: -9.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -241.654492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.654492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.654492 (E_RNA)
where:
Base-Base interactions energy: -158.195
where: short stacking energy: -81.028
Base-Backbone interact. energy: -0.044
local terms energy: -83.415471
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -23.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -232.100824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.100824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.100824 (E_RNA)
where:
Base-Base interactions energy: -155.871
where: short stacking energy: -77.085
Base-Backbone interact. energy: -0.000
local terms energy: -76.229891
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -233.647550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.647550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.647550 (E_RNA)
where:
Base-Base interactions energy: -156.052
where: short stacking energy: -87.048
Base-Backbone interact. energy: -0.001
local terms energy: -77.594946
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -222.759240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.759240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.759240 (E_RNA)
where:
Base-Base interactions energy: -152.940
where: short stacking energy: -85.123
Base-Backbone interact. energy: -0.001
local terms energy: -69.817817
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -9.300
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -20.997
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: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -197.867856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.867856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.867856 (E_RNA)
where:
Base-Base interactions energy: -129.549
where: short stacking energy: -64.695
Base-Backbone interact. energy: -0.002
local terms energy: -68.317183
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -13.741
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: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -181.138069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.138069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.138069 (E_RNA)
where:
Base-Base interactions energy: -125.593
where: short stacking energy: -55.782
Base-Backbone interact. energy: -0.015
local terms energy: -55.529672
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -9.752
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -12.858
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: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -190.189897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.189897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.189897 (E_RNA)
where:
Base-Base interactions energy: -119.835
where: short stacking energy: -50.199
Base-Backbone interact. energy: 0.531
local terms energy: -70.885777
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -12.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -175.219805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.219805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.219805 (E_RNA)
where:
Base-Base interactions energy: -110.724
where: short stacking energy: -62.922
Base-Backbone interact. energy: -0.333
local terms energy: -64.162690
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -159.020999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.020999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.020999 (E_RNA)
where:
Base-Base interactions energy: -98.419
where: short stacking energy: -50.534
Base-Backbone interact. energy: -0.188
local terms energy: -60.413888
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -4.546
tors. eta vs tors. theta energy: -11.890
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: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -89.569291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.569291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.569291 (E_RNA)
where:
Base-Base interactions energy: -33.329
where: short stacking energy: -28.499
Base-Backbone interact. energy: -0.117
local terms energy: -56.123727
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -12.488
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: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -234.299230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.299230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.299230 (E_RNA)
where:
Base-Base interactions energy: -154.155
where: short stacking energy: -79.727
Base-Backbone interact. energy: -0.001
local terms energy: -80.143171
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -23.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -222.929824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.929824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.929824 (E_RNA)
where:
Base-Base interactions energy: -152.135
where: short stacking energy: -68.523
Base-Backbone interact. energy: -0.246
local terms energy: -70.548180
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -17.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -229.078536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.078536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.078536 (E_RNA)
where:
Base-Base interactions energy: -148.914
where: short stacking energy: -79.103
Base-Backbone interact. energy: -0.005
local terms energy: -80.159686
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -235.947061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.947061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.947061 (E_RNA)
where:
Base-Base interactions energy: -162.655
where: short stacking energy: -79.701
Base-Backbone interact. energy: -0.000
local terms energy: -73.291851
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -22.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -186.580914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.580914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.580914 (E_RNA)
where:
Base-Base interactions energy: -122.069
where: short stacking energy: -51.391
Base-Backbone interact. energy: -0.156
local terms energy: -64.356260
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -169.068456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.068456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.068456 (E_RNA)
where:
Base-Base interactions energy: -113.329
where: short stacking energy: -56.591
Base-Backbone interact. energy: -1.407
local terms energy: -54.332625
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -10.912
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: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -171.086186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.086186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.086186 (E_RNA)
where:
Base-Base interactions energy: -113.265
where: short stacking energy: -55.125
Base-Backbone interact. energy: 1.257
local terms energy: -59.078330
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -11.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -166.857732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.857732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.857732 (E_RNA)
where:
Base-Base interactions energy: -101.400
where: short stacking energy: -48.011
Base-Backbone interact. energy: -0.237
local terms energy: -65.220848
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -173.909861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.909861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.909861 (E_RNA)
where:
Base-Base interactions energy: -100.510
where: short stacking energy: -52.986
Base-Backbone interact. energy: -0.002
local terms energy: -73.397151
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -13.479
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: 10, replica: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -95.165551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.165551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.165551 (E_RNA)
where:
Base-Base interactions energy: -42.094
where: short stacking energy: -41.114
Base-Backbone interact. energy: -0.179
local terms energy: -52.891858
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -8.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -237.731132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.731132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.731132 (E_RNA)
where:
Base-Base interactions energy: -154.595
where: short stacking energy: -82.255
Base-Backbone interact. energy: -0.071
local terms energy: -83.064179
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -22.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -230.775167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.775167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.775167 (E_RNA)
where:
Base-Base interactions energy: -157.225
where: short stacking energy: -79.446
Base-Backbone interact. energy: 0.147
local terms energy: -73.696333
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -220.991885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.991885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.991885 (E_RNA)
where:
Base-Base interactions energy: -145.921
where: short stacking energy: -76.093
Base-Backbone interact. energy: -0.108
local terms energy: -74.962919
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -6.533
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: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -232.189899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.189899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.189899 (E_RNA)
where:
Base-Base interactions energy: -155.392
where: short stacking energy: -77.265
Base-Backbone interact. energy: -0.157
local terms energy: -76.640713
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -13.191
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: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -174.311555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.311555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.311555 (E_RNA)
where:
Base-Base interactions energy: -115.112
where: short stacking energy: -60.900
Base-Backbone interact. energy: -0.397
local terms energy: -58.802371
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -8.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -181.135731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.135731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.135731 (E_RNA)
where:
Base-Base interactions energy: -116.101
where: short stacking energy: -65.504
Base-Backbone interact. energy: -0.112
local terms energy: -64.923062
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -6.319
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: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -180.945784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.945784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.945784 (E_RNA)
where:
Base-Base interactions energy: -120.833
where: short stacking energy: -63.807
Base-Backbone interact. energy: -0.663
local terms energy: -59.449533
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -6.900
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -6.975
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: 8, replica: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -162.965302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.965302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.965302 (E_RNA)
where:
Base-Base interactions energy: -104.313
where: short stacking energy: -48.969
Base-Backbone interact. energy: -0.074
local terms energy: -58.577816
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -9.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -162.744495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.744495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.744495 (E_RNA)
where:
Base-Base interactions energy: -102.738
where: short stacking energy: -51.204
Base-Backbone interact. energy: -0.081
local terms energy: -59.925207
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -10.123
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: 10, replica: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -88.779207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.779207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.779207 (E_RNA)
where:
Base-Base interactions energy: -40.371
where: short stacking energy: -40.371
Base-Backbone interact. energy: 0.076
local terms energy: -48.483873
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -6.611
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: 8
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -233.647202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.647202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.647202 (E_RNA)
where:
Base-Base interactions energy: -158.437
where: short stacking energy: -83.147
Base-Backbone interact. energy: -0.360
local terms energy: -74.849750
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -234.042731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.042731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.042731 (E_RNA)
where:
Base-Base interactions energy: -155.456
where: short stacking energy: -79.620
Base-Backbone interact. energy: 0.913
local terms energy: -79.499071
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -225.460854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.460854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.460854 (E_RNA)
where:
Base-Base interactions energy: -147.714
where: short stacking energy: -70.806
Base-Backbone interact. energy: -0.002
local terms energy: -77.744445
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -215.592726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.592726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.592726 (E_RNA)
where:
Base-Base interactions energy: -146.701
where: short stacking energy: -68.981
Base-Backbone interact. energy: -0.018
local terms energy: -68.873161
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -17.662
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: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -198.145147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.145147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.145147 (E_RNA)
where:
Base-Base interactions energy: -127.165
where: short stacking energy: -63.204
Base-Backbone interact. energy: -2.632
local terms energy: -68.348469
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -11.091
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: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -178.451762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.451762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.451762 (E_RNA)
where:
Base-Base interactions energy: -118.391
where: short stacking energy: -54.565
Base-Backbone interact. energy: 1.692
local terms energy: -61.752680
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -10.534
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: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -200.599424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.599424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.599424 (E_RNA)
where:
Base-Base interactions energy: -127.673
where: short stacking energy: -66.249
Base-Backbone interact. energy: -0.280
local terms energy: -72.646115
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -176.404101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.404101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.404101 (E_RNA)
where:
Base-Base interactions energy: -115.599
where: short stacking energy: -55.092
Base-Backbone interact. energy: -0.116
local terms energy: -60.689381
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -9.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -167.029609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.029609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.029609 (E_RNA)
where:
Base-Base interactions energy: -119.834
where: short stacking energy: -55.275
Base-Backbone interact. energy: -0.005
local terms energy: -47.191249
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -8.177
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -0.474
tors. eta vs tors. theta energy: -14.136
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: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -82.329557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.329557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.329557 (E_RNA)
where:
Base-Base interactions energy: -25.634
where: short stacking energy: -25.432
Base-Backbone interact. energy: -0.087
local terms energy: -56.608796
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: 1.753
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: 1, replica: 8
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -232.997356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.997356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.997356 (E_RNA)
where:
Base-Base interactions energy: -155.924
where: short stacking energy: -73.532
Base-Backbone interact. energy: -0.062
local terms energy: -77.010665
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -13.161
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: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -226.980107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.980107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.980107 (E_RNA)
where:
Base-Base interactions energy: -153.760
where: short stacking energy: -76.579
Base-Backbone interact. energy: -0.004
local terms energy: -73.215730
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -224.738811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.738811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.738811 (E_RNA)
where:
Base-Base interactions energy: -150.432
where: short stacking energy: -74.932
Base-Backbone interact. energy: -0.986
local terms energy: -73.320383
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.468
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: 4, replica: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -208.391018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.391018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.391018 (E_RNA)
where:
Base-Base interactions energy: -126.896
where: short stacking energy: -63.056
Base-Backbone interact. energy: -3.045
local terms energy: -78.450574
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -202.745659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.745659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.745659 (E_RNA)
where:
Base-Base interactions energy: -130.012
where: short stacking energy: -76.155
Base-Backbone interact. energy: -0.067
local terms energy: -72.665827
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -198.405648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.405648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.405648 (E_RNA)
where:
Base-Base interactions energy: -128.478
where: short stacking energy: -61.539
Base-Backbone interact. energy: -0.715
local terms energy: -69.212876
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -167.960226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.960226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.960226 (E_RNA)
where:
Base-Base interactions energy: -105.426
where: short stacking energy: -54.625
Base-Backbone interact. energy: -1.171
local terms energy: -61.363986
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -173.238000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.238000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.238000 (E_RNA)
where:
Base-Base interactions energy: -113.475
where: short stacking energy: -54.269
Base-Backbone interact. energy: -0.044
local terms energy: -59.718965
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -10.403
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: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -163.184224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.184224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.184224 (E_RNA)
where:
Base-Base interactions energy: -100.704
where: short stacking energy: -51.379
Base-Backbone interact. energy: -0.001
local terms energy: -62.479229
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -15.018
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: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -101.142318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.142318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.142318 (E_RNA)
where:
Base-Base interactions energy: -49.108
where: short stacking energy: -41.232
Base-Backbone interact. energy: -0.001
local terms energy: -52.033440
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -8.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -233.769090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.769090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.769090 (E_RNA)
where:
Base-Base interactions energy: -154.327
where: short stacking energy: -75.229
Base-Backbone interact. energy: -0.046
local terms energy: -79.396112
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -14.824
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: 2, replica: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -226.913584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.913584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.913584 (E_RNA)
where:
Base-Base interactions energy: -148.810
where: short stacking energy: -75.079
Base-Backbone interact. energy: -0.133
local terms energy: -77.969845
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -20.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -230.516389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.516389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.516389 (E_RNA)
where:
Base-Base interactions energy: -149.450
where: short stacking energy: -81.914
Base-Backbone interact. energy: -0.417
local terms energy: -80.649255
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -191.799548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.799548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.799548 (E_RNA)
where:
Base-Base interactions energy: -127.540
where: short stacking energy: -63.969
Base-Backbone interact. energy: -0.672
local terms energy: -63.587125
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -9.381
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: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -205.056721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.056721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.056721 (E_RNA)
where:
Base-Base interactions energy: -134.727
where: short stacking energy: -71.161
Base-Backbone interact. energy: -0.002
local terms energy: -70.327853
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -19.257
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: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -201.715040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.715040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.715040 (E_RNA)
where:
Base-Base interactions energy: -129.547
where: short stacking energy: -60.669
Base-Backbone interact. energy: -0.020
local terms energy: -72.148500
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -185.154348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.154348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.154348 (E_RNA)
where:
Base-Base interactions energy: -119.161
where: short stacking energy: -53.067
Base-Backbone interact. energy: -0.308
local terms energy: -65.684878
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -9.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -173.605711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.605711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.605711 (E_RNA)
where:
Base-Base interactions energy: -113.139
where: short stacking energy: -61.343
Base-Backbone interact. energy: -0.395
local terms energy: -60.071604
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -176.660813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.660813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.660813 (E_RNA)
where:
Base-Base interactions energy: -111.007
where: short stacking energy: -50.309
Base-Backbone interact. energy: 1.989
local terms energy: -67.642176
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -92.236465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.236465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.236465 (E_RNA)
where:
Base-Base interactions energy: -34.885
where: short stacking energy: -31.619
Base-Backbone interact. energy: -0.183
local terms energy: -57.167773
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -8.800
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: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -235.759804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.759804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.759804 (E_RNA)
where:
Base-Base interactions energy: -156.672
where: short stacking energy: -80.123
Base-Backbone interact. energy: -0.002
local terms energy: -79.085394
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -11.947
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: 2, replica: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -235.001612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.001612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.001612 (E_RNA)
where:
Base-Base interactions energy: -157.960
where: short stacking energy: -83.684
Base-Backbone interact. energy: -0.015
local terms energy: -77.026225
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -11.213
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: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -213.010490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.010490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.010490 (E_RNA)
where:
Base-Base interactions energy: -140.052
where: short stacking energy: -65.372
Base-Backbone interact. energy: -0.506
local terms energy: -72.452891
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -190.299934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.299934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.299934 (E_RNA)
where:
Base-Base interactions energy: -123.661
where: short stacking energy: -68.163
Base-Backbone interact. energy: -0.292
local terms energy: -66.347682
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -183.717324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.717324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.717324 (E_RNA)
where:
Base-Base interactions energy: -117.619
where: short stacking energy: -63.846
Base-Backbone interact. energy: -0.025
local terms energy: -66.073481
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -206.397527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.397527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.397527 (E_RNA)
where:
Base-Base interactions energy: -140.207
where: short stacking energy: -70.512
Base-Backbone interact. energy: -0.031
local terms energy: -66.160141
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -19.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -181.686106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.686106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.686106 (E_RNA)
where:
Base-Base interactions energy: -122.961
where: short stacking energy: -67.163
Base-Backbone interact. energy: -0.011
local terms energy: -58.713361
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -8.890
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -179.833272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.833272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.833272 (E_RNA)
where:
Base-Base interactions energy: -120.685
where: short stacking energy: -59.670
Base-Backbone interact. energy: 1.000
local terms energy: -60.147301
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -15.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -165.279105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.279105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.279105 (E_RNA)
where:
Base-Base interactions energy: -108.259
where: short stacking energy: -57.720
Base-Backbone interact. energy: -0.612
local terms energy: -56.408123
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -12.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -92.051963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.051963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.051963 (E_RNA)
where:
Base-Base interactions energy: -37.581
where: short stacking energy: -29.754
Base-Backbone interact. energy: -0.101
local terms energy: -54.369833
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -232.465151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.465151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.465151 (E_RNA)
where:
Base-Base interactions energy: -152.335
where: short stacking energy: -75.163
Base-Backbone interact. energy: -1.139
local terms energy: -78.991202
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -234.078305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.078305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.078305 (E_RNA)
where:
Base-Base interactions energy: -156.109
where: short stacking energy: -79.957
Base-Backbone interact. energy: -0.003
local terms energy: -77.966166
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -213.913706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.913706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.913706 (E_RNA)
where:
Base-Base interactions energy: -139.341
where: short stacking energy: -72.423
Base-Backbone interact. energy: -0.002
local terms energy: -74.570639
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -187.916767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.916767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.916767 (E_RNA)
where:
Base-Base interactions energy: -123.637
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.722
local terms energy: -63.557740
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -14.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -201.912950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.912950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.912950 (E_RNA)
where:
Base-Base interactions energy: -129.780
where: short stacking energy: -65.245
Base-Backbone interact. energy: -0.621
local terms energy: -71.511814
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -182.935364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.935364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.935364 (E_RNA)
where:
Base-Base interactions energy: -110.827
where: short stacking energy: -63.675
Base-Backbone interact. energy: -0.723
local terms energy: -71.385965
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -166.936820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.936820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.936820 (E_RNA)
where:
Base-Base interactions energy: -112.114
where: short stacking energy: -50.606
Base-Backbone interact. energy: 0.440
local terms energy: -55.262768
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -4.453
tors. eta vs tors. theta energy: -11.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -164.231363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.231363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.231363 (E_RNA)
where:
Base-Base interactions energy: -99.276
where: short stacking energy: -52.117
Base-Backbone interact. energy: -0.079
local terms energy: -64.875460
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -120.016967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.016967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.016967 (E_RNA)
where:
Base-Base interactions energy: -69.272
where: short stacking energy: -39.645
Base-Backbone interact. energy: -0.220
local terms energy: -50.525325
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -10.072
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -5.638
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: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -159.860310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.860310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.860310 (E_RNA)
where:
Base-Base interactions energy: -99.345
where: short stacking energy: -49.277
Base-Backbone interact. energy: -0.454
local terms energy: -60.061324
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -4.743
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: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -240.422012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.422012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.422012 (E_RNA)
where:
Base-Base interactions energy: -155.747
where: short stacking energy: -82.622
Base-Backbone interact. energy: -0.000
local terms energy: -84.674301
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -236.167640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.167640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.167640 (E_RNA)
where:
Base-Base interactions energy: -154.351
where: short stacking energy: -78.388
Base-Backbone interact. energy: -0.001
local terms energy: -81.816265
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -22.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -221.133414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.133414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.133414 (E_RNA)
where:
Base-Base interactions energy: -145.165
where: short stacking energy: -67.933
Base-Backbone interact. energy: -0.302
local terms energy: -75.667002
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -20.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -196.043405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.043405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.043405 (E_RNA)
where:
Base-Base interactions energy: -128.625
where: short stacking energy: -69.833
Base-Backbone interact. energy: 0.067
local terms energy: -67.485121
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -192.091671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.091671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.091671 (E_RNA)
where:
Base-Base interactions energy: -128.941
where: short stacking energy: -62.069
Base-Backbone interact. energy: 0.000
local terms energy: -63.151346
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -186.259546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.259546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.259546 (E_RNA)
where:
Base-Base interactions energy: -118.397
where: short stacking energy: -69.773
Base-Backbone interact. energy: 1.275
local terms energy: -69.136628
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -13.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -177.705861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.705861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.705861 (E_RNA)
where:
Base-Base interactions energy: -116.742
where: short stacking energy: -55.724
Base-Backbone interact. energy: 0.064
local terms energy: -61.027581
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -11.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -169.283310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.283310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.283310 (E_RNA)
where:
Base-Base interactions energy: -106.844
where: short stacking energy: -51.195
Base-Backbone interact. energy: -1.222
local terms energy: -61.217543
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -11.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -83.668027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.668027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.668027 (E_RNA)
where:
Base-Base interactions energy: -37.624
where: short stacking energy: -30.799
Base-Backbone interact. energy: -0.410
local terms energy: -45.634301
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -163.138824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.138824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.138824 (E_RNA)
where:
Base-Base interactions energy: -100.469
where: short stacking energy: -49.897
Base-Backbone interact. energy: -0.753
local terms energy: -61.916733
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -231.017783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.017783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.017783 (E_RNA)
where:
Base-Base interactions energy: -157.286
where: short stacking energy: -82.355
Base-Backbone interact. energy: -0.002
local terms energy: -73.729806
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -20.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -229.725775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.725775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.725775 (E_RNA)
where:
Base-Base interactions energy: -153.432
where: short stacking energy: -71.841
Base-Backbone interact. energy: 0.056
local terms energy: -76.349760
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -193.665022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.665022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.665022 (E_RNA)
where:
Base-Base interactions energy: -122.375
where: short stacking energy: -69.064
Base-Backbone interact. energy: -0.031
local terms energy: -71.258967
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -225.897581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.897581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.897581 (E_RNA)
where:
Base-Base interactions energy: -147.686
where: short stacking energy: -73.437
Base-Backbone interact. energy: -0.002
local terms energy: -78.210394
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -220.653107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.653107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.653107 (E_RNA)
where:
Base-Base interactions energy: -145.340
where: short stacking energy: -77.570
Base-Backbone interact. energy: -0.654
local terms energy: -74.659623
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -181.646638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.646638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.646638 (E_RNA)
where:
Base-Base interactions energy: -116.410
where: short stacking energy: -57.831
Base-Backbone interact. energy: -0.042
local terms energy: -65.194695
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -6.807
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: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -172.869970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.869970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.869970 (E_RNA)
where:
Base-Base interactions energy: -117.417
where: short stacking energy: -52.724
Base-Backbone interact. energy: -0.795
local terms energy: -54.657347
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -0.553
tors. eta vs tors. theta energy: -14.060
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: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -182.200467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.200467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.200467 (E_RNA)
where:
Base-Base interactions energy: -109.763
where: short stacking energy: -59.436
Base-Backbone interact. energy: -0.580
local terms energy: -71.857260
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -16.418
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: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -170.344419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.344419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.344419 (E_RNA)
where:
Base-Base interactions energy: -118.239
where: short stacking energy: -51.339
Base-Backbone interact. energy: 0.347
local terms energy: -52.451742
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -9.717
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: 10, replica: 5
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -90.621677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.621677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.621677 (E_RNA)
where:
Base-Base interactions energy: -40.159
where: short stacking energy: -37.028
Base-Backbone interact. energy: -0.535
local terms energy: -49.928474
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -8.123
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: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -234.136324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.136324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.136324 (E_RNA)
where:
Base-Base interactions energy: -151.664
where: short stacking energy: -79.440
Base-Backbone interact. energy: -0.001
local terms energy: -82.471263
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -22.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -237.948923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.948923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.948923 (E_RNA)
where:
Base-Base interactions energy: -155.164
where: short stacking energy: -82.847
Base-Backbone interact. energy: -0.261
local terms energy: -82.524433
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -13.420
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: 3, replica: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -203.226668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.226668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.226668 (E_RNA)
where:
Base-Base interactions energy: -135.989
where: short stacking energy: -75.862
Base-Backbone interact. energy: -0.018
local terms energy: -67.219727
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -15.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -219.948086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.948086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.948086 (E_RNA)
where:
Base-Base interactions energy: -144.221
where: short stacking energy: -71.803
Base-Backbone interact. energy: 0.062
local terms energy: -75.788975
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -198.092469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.092469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.092469 (E_RNA)
where:
Base-Base interactions energy: -133.131
where: short stacking energy: -57.442
Base-Backbone interact. energy: -0.116
local terms energy: -64.845445
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -9.609
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: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -188.818257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.818257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.818257 (E_RNA)
where:
Base-Base interactions energy: -118.340
where: short stacking energy: -57.374
Base-Backbone interact. energy: -0.026
local terms energy: -70.452987
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -196.028372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.028372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.028372 (E_RNA)
where:
Base-Base interactions energy: -127.460
where: short stacking energy: -61.934
Base-Backbone interact. energy: -0.001
local terms energy: -68.567409
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -174.980616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.980616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.980616 (E_RNA)
where:
Base-Base interactions energy: -119.838
where: short stacking energy: -53.068
Base-Backbone interact. energy: -0.295
local terms energy: -54.847801
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -8.427
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: 9, replica: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -176.569543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.569543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.569543 (E_RNA)
where:
Base-Base interactions energy: -115.231
where: short stacking energy: -53.952
Base-Backbone interact. energy: -0.068
local terms energy: -61.270823
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -11.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -78.988637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.988637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.988637 (E_RNA)
where:
Base-Base interactions energy: -29.604
where: short stacking energy: -25.530
Base-Backbone interact. energy: -0.090
local terms energy: -49.294374
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -1.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -239.719277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.719277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.719277 (E_RNA)
where:
Base-Base interactions energy: -159.025
where: short stacking energy: -81.892
Base-Backbone interact. energy: 0.388
local terms energy: -81.081868
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -234.228935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.228935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.228935 (E_RNA)
where:
Base-Base interactions energy: -153.541
where: short stacking energy: -79.553
Base-Backbone interact. energy: -0.859
local terms energy: -79.829067
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -227.968411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.968411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.968411 (E_RNA)
where:
Base-Base interactions energy: -151.563
where: short stacking energy: -79.481
Base-Backbone interact. energy: -0.132
local terms energy: -76.273440
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -12.904
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: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -198.244087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.244087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.244087 (E_RNA)
where:
Base-Base interactions energy: -132.597
where: short stacking energy: -71.492
Base-Backbone interact. energy: -0.002
local terms energy: -65.645454
where:
bonds (distance) C4'-P energy: -7.865
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -215.651173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.651173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.651173 (E_RNA)
where:
Base-Base interactions energy: -145.262
where: short stacking energy: -69.458
Base-Backbone interact. energy: -0.132
local terms energy: -70.256536
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -5.618
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: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -187.318524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.318524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.318524 (E_RNA)
where:
Base-Base interactions energy: -123.119
where: short stacking energy: -63.000
Base-Backbone interact. energy: -0.999
local terms energy: -63.200786
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -7.375
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -15.347
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: 2
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -182.218514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.218514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.218514 (E_RNA)
where:
Base-Base interactions energy: -110.956
where: short stacking energy: -64.933
Base-Backbone interact. energy: -0.001
local terms energy: -71.261525
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -164.921792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.921792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.921792 (E_RNA)
where:
Base-Base interactions energy: -101.813
where: short stacking energy: -56.753
Base-Backbone interact. energy: -0.222
local terms energy: -62.887582
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -9.903
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -128.590879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.590879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.590879 (E_RNA)
where:
Base-Base interactions energy: -66.119
where: short stacking energy: -28.059
Base-Backbone interact. energy: -0.235
local terms energy: -62.236114
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -88.710230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.710230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.710230 (E_RNA)
where:
Base-Base interactions energy: -31.962
where: short stacking energy: -31.962
Base-Backbone interact. energy: -0.062
local terms energy: -56.686016
where:
bonds (distance) C4'-P energy: -7.797
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -7.760
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: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -232.312240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.312240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.312240 (E_RNA)
where:
Base-Base interactions energy: -154.689
where: short stacking energy: -80.787
Base-Backbone interact. energy: -0.017
local terms energy: -77.606158
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -230.731077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.731077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.731077 (E_RNA)
where:
Base-Base interactions energy: -154.726
where: short stacking energy: -69.651
Base-Backbone interact. energy: -0.435
local terms energy: -75.570056
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -226.679503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.679503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.679503 (E_RNA)
where:
Base-Base interactions energy: -149.293
where: short stacking energy: -74.355
Base-Backbone interact. energy: -0.027
local terms energy: -77.359405
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -22.796
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: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -208.759628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.759628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.759628 (E_RNA)
where:
Base-Base interactions energy: -136.375
where: short stacking energy: -68.533
Base-Backbone interact. energy: 0.548
local terms energy: -72.932549
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -179.628125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.628125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.628125 (E_RNA)
where:
Base-Base interactions energy: -116.519
where: short stacking energy: -62.342
Base-Backbone interact. energy: -0.163
local terms energy: -62.945645
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -10.366
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: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -182.964202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.964202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.964202 (E_RNA)
where:
Base-Base interactions energy: -125.863
where: short stacking energy: -64.596
Base-Backbone interact. energy: -1.452
local terms energy: -55.648363
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -9.884
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -10.749
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: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -189.029810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.029810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.029810 (E_RNA)
where:
Base-Base interactions energy: -121.889
where: short stacking energy: -58.487
Base-Backbone interact. energy: -0.019
local terms energy: -67.121702
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -181.082511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.082511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.082511 (E_RNA)
where:
Base-Base interactions energy: -122.508
where: short stacking energy: -64.072
Base-Backbone interact. energy: -0.040
local terms energy: -58.534620
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -9.007
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -83.498516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.498516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.498516 (E_RNA)
where:
Base-Base interactions energy: -33.243
where: short stacking energy: -33.243
Base-Backbone interact. energy: -0.141
local terms energy: -50.115198
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -0.545
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: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -77.798947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.798947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.798947 (E_RNA)
where:
Base-Base interactions energy: -28.283
where: short stacking energy: -26.411
Base-Backbone interact. energy: -0.207
local terms energy: -49.308442
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -241.487211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.487211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.487211 (E_RNA)
where:
Base-Base interactions energy: -160.218
where: short stacking energy: -78.456
Base-Backbone interact. energy: -0.715
local terms energy: -80.554119
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -21.568
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: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -228.029769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.029769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.029769 (E_RNA)
where:
Base-Base interactions energy: -154.005
where: short stacking energy: -79.201
Base-Backbone interact. energy: -0.009
local terms energy: -74.015963
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -212.655189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.655189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.655189 (E_RNA)
where:
Base-Base interactions energy: -139.560
where: short stacking energy: -75.510
Base-Backbone interact. energy: 0.169
local terms energy: -73.264294
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -224.423474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.423474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.423474 (E_RNA)
where:
Base-Base interactions energy: -154.977
where: short stacking energy: -81.029
Base-Backbone interact. energy: -0.079
local terms energy: -69.368106
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -18.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -196.770929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.770929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.770929 (E_RNA)
where:
Base-Base interactions energy: -124.588
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.750
local terms energy: -71.433785
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -19.628
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: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -177.985318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.985318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.985318 (E_RNA)
where:
Base-Base interactions energy: -117.964
where: short stacking energy: -53.476
Base-Backbone interact. energy: -0.005
local terms energy: -60.015877
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -191.692078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.692078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.692078 (E_RNA)
where:
Base-Base interactions energy: -120.649
where: short stacking energy: -62.308
Base-Backbone interact. energy: -0.176
local terms energy: -70.867435
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -159.770107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.770107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.770107 (E_RNA)
where:
Base-Base interactions energy: -95.836
where: short stacking energy: -48.176
Base-Backbone interact. energy: -0.122
local terms energy: -63.811991
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -12.139
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: 9, replica: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -87.117115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.117115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.117115 (E_RNA)
where:
Base-Base interactions energy: -39.912
where: short stacking energy: -32.282
Base-Backbone interact. energy: -0.285
local terms energy: -46.920008
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -94.887335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.887335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.887335 (E_RNA)
where:
Base-Base interactions energy: -49.513
where: short stacking energy: -47.192
Base-Backbone interact. energy: 0.142
local terms energy: -45.516098
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -0.531
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -236.531017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.531017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.531017 (E_RNA)
where:
Base-Base interactions energy: -150.678
where: short stacking energy: -78.115
Base-Backbone interact. energy: -0.001
local terms energy: -85.851857
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -23.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -222.926757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.926757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.926757 (E_RNA)
where:
Base-Base interactions energy: -145.886
where: short stacking energy: -77.140
Base-Backbone interact. energy: -0.011
local terms energy: -77.029587
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -228.645570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.645570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.645570 (E_RNA)
where:
Base-Base interactions energy: -150.598
where: short stacking energy: -74.832
Base-Backbone interact. energy: -0.007
local terms energy: -78.041068
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -223.927687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.927687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.927687 (E_RNA)
where:
Base-Base interactions energy: -145.829
where: short stacking energy: -69.451
Base-Backbone interact. energy: -0.065
local terms energy: -78.033382
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -8.062
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: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -219.101617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.101617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.101617 (E_RNA)
where:
Base-Base interactions energy: -149.317
where: short stacking energy: -75.669
Base-Backbone interact. energy: -1.542
local terms energy: -68.242079
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -188.276260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.276260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.276260 (E_RNA)
where:
Base-Base interactions energy: -119.034
where: short stacking energy: -64.081
Base-Backbone interact. energy: 0.479
local terms energy: -69.721166
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -188.703050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.703050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.703050 (E_RNA)
where:
Base-Base interactions energy: -127.928
where: short stacking energy: -62.686
Base-Backbone interact. energy: 0.240
local terms energy: -61.014298
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -14.155
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: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -169.893847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.893847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.893847 (E_RNA)
where:
Base-Base interactions energy: -102.905
where: short stacking energy: -46.499
Base-Backbone interact. energy: -0.143
local terms energy: -66.846242
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -11.920
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: 9, replica: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -87.486478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.486478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.486478 (E_RNA)
where:
Base-Base interactions energy: -48.780
where: short stacking energy: -22.112
Base-Backbone interact. energy: -0.077
local terms energy: -38.629747
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -4.984
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: 1.393
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: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -84.946291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.946291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.946291 (E_RNA)
where:
Base-Base interactions energy: -34.711
where: short stacking energy: -26.519
Base-Backbone interact. energy: -0.425
local terms energy: -49.810357
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -237.527103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.527103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.527103 (E_RNA)
where:
Base-Base interactions energy: -156.183
where: short stacking energy: -78.839
Base-Backbone interact. energy: -0.000
local terms energy: -81.343834
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -12.578
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: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -221.688485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.688485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.688485 (E_RNA)
where:
Base-Base interactions energy: -151.108
where: short stacking energy: -78.653
Base-Backbone interact. energy: 0.167
local terms energy: -70.747534
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -224.081162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.081162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.081162 (E_RNA)
where:
Base-Base interactions energy: -152.234
where: short stacking energy: -65.049
Base-Backbone interact. energy: 0.338
local terms energy: -72.185113
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -214.486488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.486488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.486488 (E_RNA)
where:
Base-Base interactions energy: -141.196
where: short stacking energy: -73.276
Base-Backbone interact. energy: -0.000
local terms energy: -73.289923
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -21.413
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: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -193.110365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.110365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.110365 (E_RNA)
where:
Base-Base interactions energy: -120.252
where: short stacking energy: -64.664
Base-Backbone interact. energy: -0.107
local terms energy: -72.751537
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -11.046
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: 390
Temperature: 1.150000
Total energy: -192.281581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.281581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.281581 (E_RNA)
where:
Base-Base interactions energy: -124.148
where: short stacking energy: -64.999
Base-Backbone interact. energy: -0.124
local terms energy: -68.008923
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -188.313003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.313003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.313003 (E_RNA)
where:
Base-Base interactions energy: -122.401
where: short stacking energy: -54.341
Base-Backbone interact. energy: -0.392
local terms energy: -65.520560
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -8.585
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: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -165.324489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.324489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.324489 (E_RNA)
where:
Base-Base interactions energy: -107.003
where: short stacking energy: -53.328
Base-Backbone interact. energy: -0.047
local terms energy: -58.275247
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -13.085
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: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -106.984258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.984258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.984258 (E_RNA)
where:
Base-Base interactions energy: -54.475
where: short stacking energy: -21.826
Base-Backbone interact. energy: -0.500
local terms energy: -52.009560
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -85.853145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.853145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.853145 (E_RNA)
where:
Base-Base interactions energy: -36.994
where: short stacking energy: -24.725
Base-Backbone interact. energy: 1.034
local terms energy: -49.893652
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -10.504
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -10.887
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: 1, replica: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -240.890841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.890841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.890841 (E_RNA)
where:
Base-Base interactions energy: -161.022
where: short stacking energy: -85.732
Base-Backbone interact. energy: -0.238
local terms energy: -79.630965
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -221.347003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.347003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.347003 (E_RNA)
where:
Base-Base interactions energy: -150.901
where: short stacking energy: -69.139
Base-Backbone interact. energy: 1.187
local terms energy: -71.632376
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -19.224
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: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -227.094936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.094936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.094936 (E_RNA)
where:
Base-Base interactions energy: -151.948
where: short stacking energy: -75.074
Base-Backbone interact. energy: -0.626
local terms energy: -74.520622
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -211.104582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.104582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.104582 (E_RNA)
where:
Base-Base interactions energy: -141.769
where: short stacking energy: -64.862
Base-Backbone interact. energy: -0.296
local terms energy: -69.039879
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -187.815213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.815213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.815213 (E_RNA)
where:
Base-Base interactions energy: -122.911
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.159
local terms energy: -64.745467
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -18.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -180.304747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.304747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.304747 (E_RNA)
where:
Base-Base interactions energy: -109.172
where: short stacking energy: -57.861
Base-Backbone interact. energy: -0.431
local terms energy: -70.701389
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -12.152
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: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -163.991615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.991615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.991615 (E_RNA)
where:
Base-Base interactions energy: -110.422
where: short stacking energy: -47.887
Base-Backbone interact. energy: -0.082
local terms energy: -53.487898
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -178.487841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.487841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.487841 (E_RNA)
where:
Base-Base interactions energy: -118.554
where: short stacking energy: -58.354
Base-Backbone interact. energy: -0.167
local terms energy: -59.766403
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -9.891
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -16.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -109.724512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.724512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.724512 (E_RNA)
where:
Base-Base interactions energy: -57.025
where: short stacking energy: -57.025
Base-Backbone interact. energy: 1.180
local terms energy: -53.878865
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -7.493
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -11.172
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: 10, replica: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -95.015603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.015603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.015603 (E_RNA)
where:
Base-Base interactions energy: -40.678
where: short stacking energy: -36.371
Base-Backbone interact. energy: -0.077
local terms energy: -54.260657
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -9.963
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -9.021
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: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -234.135507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.135507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.135507 (E_RNA)
where:
Base-Base interactions energy: -156.735
where: short stacking energy: -85.771
Base-Backbone interact. energy: -0.001
local terms energy: -77.399748
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -21.178
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: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -233.581913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.581913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.581913 (E_RNA)
where:
Base-Base interactions energy: -159.825
where: short stacking energy: -81.085
Base-Backbone interact. energy: -1.009
local terms energy: -72.748622
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -214.647470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.647470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.647470 (E_RNA)
where:
Base-Base interactions energy: -141.490
where: short stacking energy: -68.395
Base-Backbone interact. energy: -0.031
local terms energy: -73.127011
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -220.833102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.833102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.833102 (E_RNA)
where:
Base-Base interactions energy: -147.279
where: short stacking energy: -76.091
Base-Backbone interact. energy: -0.000
local terms energy: -73.554130
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -19.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -211.544851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.544851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.544851 (E_RNA)
where:
Base-Base interactions energy: -136.983
where: short stacking energy: -70.050
Base-Backbone interact. energy: -0.195
local terms energy: -74.366485
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -13.239
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: 392
Temperature: 1.150000
Total energy: -182.459907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.459907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.459907 (E_RNA)
where:
Base-Base interactions energy: -121.742
where: short stacking energy: -72.194
Base-Backbone interact. energy: -0.011
local terms energy: -60.706434
where:
bonds (distance) C4'-P energy: -7.449
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -188.762609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.762609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.762609 (E_RNA)
where:
Base-Base interactions energy: -120.406
where: short stacking energy: -60.156
Base-Backbone interact. energy: -0.239
local terms energy: -68.116861
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -172.229903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.229903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.229903 (E_RNA)
where:
Base-Base interactions energy: -114.352
where: short stacking energy: -53.704
Base-Backbone interact. energy: -0.006
local terms energy: -57.871521
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -6.850
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: 9, replica: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -95.742455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.742455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.742455 (E_RNA)
where:
Base-Base interactions energy: -46.680
where: short stacking energy: -22.116
Base-Backbone interact. energy: -0.093
local terms energy: -48.969545
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -81.786862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.786862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.786862 (E_RNA)
where:
Base-Base interactions energy: -30.797
where: short stacking energy: -30.231
Base-Backbone interact. energy: -0.303
local terms energy: -50.686831
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -2.686
flat angles P-C4'-P energy: -11.018
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: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -233.856863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.856863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.856863 (E_RNA)
where:
Base-Base interactions energy: -158.709
where: short stacking energy: -79.060
Base-Backbone interact. energy: -0.001
local terms energy: -75.147252
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -17.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -230.454097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.454097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.454097 (E_RNA)
where:
Base-Base interactions energy: -151.872
where: short stacking energy: -70.947
Base-Backbone interact. energy: -0.021
local terms energy: -78.561220
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -216.551937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.551937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.551937 (E_RNA)
where:
Base-Base interactions energy: -142.397
where: short stacking energy: -75.967
Base-Backbone interact. energy: -0.082
local terms energy: -74.072745
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -202.233257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.233257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.233257 (E_RNA)
where:
Base-Base interactions energy: -132.449
where: short stacking energy: -69.149
Base-Backbone interact. energy: -0.041
local terms energy: -69.743137
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -217.429421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.429421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.429421 (E_RNA)
where:
Base-Base interactions energy: -147.827
where: short stacking energy: -72.598
Base-Backbone interact. energy: -0.321
local terms energy: -69.281839
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -4.526
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -185.057477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.057477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.057477 (E_RNA)
where:
Base-Base interactions energy: -123.080
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.019
local terms energy: -61.958881
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -181.615706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.615706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.615706 (E_RNA)
where:
Base-Base interactions energy: -114.272
where: short stacking energy: -61.784
Base-Backbone interact. energy: -0.645
local terms energy: -66.698928
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -14.264
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: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -171.316039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.316039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.316039 (E_RNA)
where:
Base-Base interactions energy: -111.836
where: short stacking energy: -61.051
Base-Backbone interact. energy: -0.008
local terms energy: -59.472136
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -7.879
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -12.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -90.861352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.861352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.861352 (E_RNA)
where:
Base-Base interactions energy: -37.148
where: short stacking energy: -31.121
Base-Backbone interact. energy: -0.073
local terms energy: -53.640314
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -88.817487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.817487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.817487 (E_RNA)
where:
Base-Base interactions energy: -42.855
where: short stacking energy: -38.665
Base-Backbone interact. energy: -0.887
local terms energy: -45.074687
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -1.199
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: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -233.146633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.146633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.146633 (E_RNA)
where:
Base-Base interactions energy: -155.288
where: short stacking energy: -80.305
Base-Backbone interact. energy: -0.365
local terms energy: -77.493879
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -227.346177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.346177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.346177 (E_RNA)
where:
Base-Base interactions energy: -149.253
where: short stacking energy: -71.710
Base-Backbone interact. energy: -0.569
local terms energy: -77.524891
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -223.230379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.230379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.230379 (E_RNA)
where:
Base-Base interactions energy: -150.276
where: short stacking energy: -71.947
Base-Backbone interact. energy: -0.020
local terms energy: -72.934495
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -18.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -206.493879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.493879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.493879 (E_RNA)
where:
Base-Base interactions energy: -133.925
where: short stacking energy: -75.706
Base-Backbone interact. energy: -0.004
local terms energy: -72.564934
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -18.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -174.877315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.877315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.877315 (E_RNA)
where:
Base-Base interactions energy: -112.229
where: short stacking energy: -58.930
Base-Backbone interact. energy: 0.125
local terms energy: -62.773418
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -12.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -210.002727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.002727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.002727 (E_RNA)
where:
Base-Base interactions energy: -141.727
where: short stacking energy: -71.784
Base-Backbone interact. energy: -0.019
local terms energy: -68.256906
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -168.099575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.099575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.099575 (E_RNA)
where:
Base-Base interactions energy: -108.363
where: short stacking energy: -58.461
Base-Backbone interact. energy: 1.558
local terms energy: -61.294913
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -5.828
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: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -170.253006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.253006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.253006 (E_RNA)
where:
Base-Base interactions energy: -106.872
where: short stacking energy: -51.797
Base-Backbone interact. energy: -1.109
local terms energy: -62.271731
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -12.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -90.586624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.586624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.586624 (E_RNA)
where:
Base-Base interactions energy: -40.953
where: short stacking energy: -20.337
Base-Backbone interact. energy: 1.477
local terms energy: -51.111086
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -95.820163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.820163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.820163 (E_RNA)
where:
Base-Base interactions energy: -51.987
where: short stacking energy: -30.550
Base-Backbone interact. energy: -0.260
local terms energy: -43.573175
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -9.753
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -236.868665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.868665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.868665 (E_RNA)
where:
Base-Base interactions energy: -154.462
where: short stacking energy: -78.152
Base-Backbone interact. energy: -0.043
local terms energy: -82.363796
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -20.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -226.676101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.676101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.676101 (E_RNA)
where:
Base-Base interactions energy: -152.015
where: short stacking energy: -72.297
Base-Backbone interact. energy: -0.842
local terms energy: -73.819114
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -6.219
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: 3, replica: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -208.895100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.895100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.895100 (E_RNA)
where:
Base-Base interactions energy: -139.528
where: short stacking energy: -69.197
Base-Backbone interact. energy: 0.478
local terms energy: -69.845308
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -16.442
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: 4, replica: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -176.161559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.161559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.161559 (E_RNA)
where:
Base-Base interactions energy: -109.431
where: short stacking energy: -56.187
Base-Backbone interact. energy: -0.060
local terms energy: -66.670651
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -12.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -189.411030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.411030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.411030 (E_RNA)
where:
Base-Base interactions energy: -121.452
where: short stacking energy: -65.046
Base-Backbone interact. energy: -0.046
local terms energy: -67.912948
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -14.202
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: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -187.048408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.048408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.048408 (E_RNA)
where:
Base-Base interactions energy: -120.492
where: short stacking energy: -64.376
Base-Backbone interact. energy: -0.072
local terms energy: -66.484126
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -16.237
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: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -183.126795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.126795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.126795 (E_RNA)
where:
Base-Base interactions energy: -125.369
where: short stacking energy: -65.642
Base-Backbone interact. energy: -0.722
local terms energy: -57.035107
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -6.031
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -15.033
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: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -96.386733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.386733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.386733 (E_RNA)
where:
Base-Base interactions energy: -47.772
where: short stacking energy: -34.115
Base-Backbone interact. energy: 1.431
local terms energy: -50.045468
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: 0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -173.703886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.703886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.703886 (E_RNA)
where:
Base-Base interactions energy: -110.623
where: short stacking energy: -56.360
Base-Backbone interact. energy: -0.999
local terms energy: -62.081922
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -88.324799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.324799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.324799 (E_RNA)
where:
Base-Base interactions energy: -35.717
where: short stacking energy: -34.765
Base-Backbone interact. energy: -1.225
local terms energy: -51.383394
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -8.270
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -7.077
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: 396
Temperature: 0.900000
Total energy: -239.854700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.854700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.854700 (E_RNA)
where:
Base-Base interactions energy: -156.587
where: short stacking energy: -73.165
Base-Backbone interact. energy: -0.246
local terms energy: -83.021694
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -233.231184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.231184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.231184 (E_RNA)
where:
Base-Base interactions energy: -147.346
where: short stacking energy: -75.621
Base-Backbone interact. energy: -1.176
local terms energy: -84.708950
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -21.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -192.965444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.965444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.965444 (E_RNA)
where:
Base-Base interactions energy: -126.563
where: short stacking energy: -68.943
Base-Backbone interact. energy: -0.652
local terms energy: -65.750583
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.315
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: 4, replica: 10
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -216.300599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.300599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.300599 (E_RNA)
where:
Base-Base interactions energy: -153.131
where: short stacking energy: -76.514
Base-Backbone interact. energy: 1.843
local terms energy: -65.012900
where:
bonds (distance) C4'-P energy: -4.652
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -187.439255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.439255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.439255 (E_RNA)
where:
Base-Base interactions energy: -122.133
where: short stacking energy: -65.229
Base-Backbone interact. energy: -0.038
local terms energy: -65.268156
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -182.244731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.244731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.244731 (E_RNA)
where:
Base-Base interactions energy: -121.621
where: short stacking energy: -68.704
Base-Backbone interact. energy: -0.359
local terms energy: -60.264679
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -117.150841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.150841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.150841 (E_RNA)
where:
Base-Base interactions energy: -66.254
where: short stacking energy: -41.047
Base-Backbone interact. energy: -0.736
local terms energy: -50.160778
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -195.725450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.725450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.725450 (E_RNA)
where:
Base-Base interactions energy: -130.856
where: short stacking energy: -57.464
Base-Backbone interact. energy: 1.619
local terms energy: -66.488579
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -151.501395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.501395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.501395 (E_RNA)
where:
Base-Base interactions energy: -102.245
where: short stacking energy: -51.937
Base-Backbone interact. energy: 2.420
local terms energy: -51.676376
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -11.175
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -4.188
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: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -81.501258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.501258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.501258 (E_RNA)
where:
Base-Base interactions energy: -34.540
where: short stacking energy: -34.540
Base-Backbone interact. energy: -0.091
local terms energy: -46.870368
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: 0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -237.771758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.771758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.771758 (E_RNA)
where:
Base-Base interactions energy: -156.674
where: short stacking energy: -73.793
Base-Backbone interact. energy: -0.068
local terms energy: -81.030321
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -12.069
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: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -198.816422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.816422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.816422 (E_RNA)
where:
Base-Base interactions energy: -130.299
where: short stacking energy: -68.831
Base-Backbone interact. energy: -0.084
local terms energy: -68.433490
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -203.394292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.394292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.394292 (E_RNA)
where:
Base-Base interactions energy: -131.085
where: short stacking energy: -64.855
Base-Backbone interact. energy: -0.068
local terms energy: -72.240983
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -195.806282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.806282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.806282 (E_RNA)
where:
Base-Base interactions energy: -123.285
where: short stacking energy: -53.675
Base-Backbone interact. energy: -0.065
local terms energy: -72.456094
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -13.460
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: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -202.677906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.677906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.677906 (E_RNA)
where:
Base-Base interactions energy: -139.243
where: short stacking energy: -63.744
Base-Backbone interact. energy: -0.119
local terms energy: -63.316164
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -15.013
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: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -177.490111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.490111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.490111 (E_RNA)
where:
Base-Base interactions energy: -112.180
where: short stacking energy: -58.288
Base-Backbone interact. energy: -0.001
local terms energy: -65.308959
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -128.521535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.521535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.521535 (E_RNA)
where:
Base-Base interactions energy: -68.563
where: short stacking energy: -49.698
Base-Backbone interact. energy: -0.006
local terms energy: -59.952048
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -7.493
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: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -172.652643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.652643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.652643 (E_RNA)
where:
Base-Base interactions energy: -103.670
where: short stacking energy: -55.003
Base-Backbone interact. energy: -0.023
local terms energy: -68.960276
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -11.398
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: 9, replica: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -154.590743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.590743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.590743 (E_RNA)
where:
Base-Base interactions energy: -97.663
where: short stacking energy: -42.267
Base-Backbone interact. energy: -0.115
local terms energy: -56.812407
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -7.901
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: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -88.819202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.819202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.819202 (E_RNA)
where:
Base-Base interactions energy: -36.748
where: short stacking energy: -34.290
Base-Backbone interact. energy: -0.022
local terms energy: -52.049085
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -6.302
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: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -236.894461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.894461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.894461 (E_RNA)
where:
Base-Base interactions energy: -160.382
where: short stacking energy: -78.713
Base-Backbone interact. energy: -0.660
local terms energy: -75.852692
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -19.326
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: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -200.959563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.959563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.959563 (E_RNA)
where:
Base-Base interactions energy: -127.886
where: short stacking energy: -69.495
Base-Backbone interact. energy: -0.003
local terms energy: -73.070302
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -15.406
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: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -217.199310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.199310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.199310 (E_RNA)
where:
Base-Base interactions energy: -140.665
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.659
local terms energy: -75.875083
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -16.587
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: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -210.644322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.644322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.644322 (E_RNA)
where:
Base-Base interactions energy: -138.259
where: short stacking energy: -69.043
Base-Backbone interact. energy: -0.017
local terms energy: -72.369148
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -201.443059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.443059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.443059 (E_RNA)
where:
Base-Base interactions energy: -135.661
where: short stacking energy: -68.128
Base-Backbone interact. energy: -0.062
local terms energy: -65.720584
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -17.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -177.613065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.613065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.613065 (E_RNA)
where:
Base-Base interactions energy: -114.887
where: short stacking energy: -60.831
Base-Backbone interact. energy: -0.135
local terms energy: -62.591269
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -11.659
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: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -186.711542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.711542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.711542 (E_RNA)
where:
Base-Base interactions energy: -127.679
where: short stacking energy: -59.807
Base-Backbone interact. energy: -0.013
local terms energy: -59.019469
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -10.297
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -102.170333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.170333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.170333 (E_RNA)
where:
Base-Base interactions energy: -45.061
where: short stacking energy: -34.251
Base-Backbone interact. energy: -0.301
local terms energy: -56.808363
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -152.550110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.550110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.550110 (E_RNA)
where:
Base-Base interactions energy: -98.318
where: short stacking energy: -42.288
Base-Backbone interact. energy: -0.063
local terms energy: -54.169466
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -8.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -87.409134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.409134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.409134 (E_RNA)
where:
Base-Base interactions energy: -39.725
where: short stacking energy: -37.406
Base-Backbone interact. energy: -0.149
local terms energy: -47.535007
where:
bonds (distance) C4'-P energy: -8.347
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -229.988175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.988175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.988175 (E_RNA)
where:
Base-Base interactions energy: -153.282
where: short stacking energy: -76.921
Base-Backbone interact. energy: -0.007
local terms energy: -76.699629
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -21.628
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: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -237.081803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.081803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.081803 (E_RNA)
where:
Base-Base interactions energy: -161.252
where: short stacking energy: -83.277
Base-Backbone interact. energy: -0.061
local terms energy: -75.768161
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -18.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -191.628415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.628415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.628415 (E_RNA)
where:
Base-Base interactions energy: -120.320
where: short stacking energy: -69.118
Base-Backbone interact. energy: -0.011
local terms energy: -71.297810
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -200.773101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.773101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.773101 (E_RNA)
where:
Base-Base interactions energy: -129.062
where: short stacking energy: -61.731
Base-Backbone interact. energy: -0.025
local terms energy: -71.686336
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -206.056088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.056088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.056088 (E_RNA)
where:
Base-Base interactions energy: -134.409
where: short stacking energy: -67.434
Base-Backbone interact. energy: -0.107
local terms energy: -71.539323
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -11.820
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: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -180.548001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.548001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.548001 (E_RNA)
where:
Base-Base interactions energy: -118.261
where: short stacking energy: -61.476
Base-Backbone interact. energy: -0.836
local terms energy: -61.450822
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -177.508117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.508117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.508117 (E_RNA)
where:
Base-Base interactions energy: -111.114
where: short stacking energy: -56.241
Base-Backbone interact. energy: -0.393
local terms energy: -66.001168
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -181.160812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.160812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.160812 (E_RNA)
where:
Base-Base interactions energy: -114.872
where: short stacking energy: -57.880
Base-Backbone interact. energy: -0.084
local terms energy: -66.204349
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -111.683459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.683459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.683459 (E_RNA)
where:
Base-Base interactions energy: -51.064
where: short stacking energy: -33.587
Base-Backbone interact. energy: -0.722
local terms energy: -59.897205
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -87.109246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.109246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.109246 (E_RNA)
where:
Base-Base interactions energy: -27.945
where: short stacking energy: -27.945
Base-Backbone interact. energy: 0.924
local terms energy: -60.088074
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -5.494
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: 1, replica: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -233.073303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.073303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.073303 (E_RNA)
where:
Base-Base interactions energy: -150.544
where: short stacking energy: -76.473
Base-Backbone interact. energy: -0.030
local terms energy: -82.499315
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -21.965
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: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -232.309523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.309523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.309523 (E_RNA)
where:
Base-Base interactions energy: -151.446
where: short stacking energy: -78.691
Base-Backbone interact. energy: -0.007
local terms energy: -80.857332
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -191.063602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.063602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.063602 (E_RNA)
where:
Base-Base interactions energy: -126.853
where: short stacking energy: -60.104
Base-Backbone interact. energy: -0.161
local terms energy: -64.050288
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -197.634874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.634874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.634874 (E_RNA)
where:
Base-Base interactions energy: -128.398
where: short stacking energy: -71.417
Base-Backbone interact. energy: -0.157
local terms energy: -69.080415
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -20.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -179.579314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.579314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.579314 (E_RNA)
where:
Base-Base interactions energy: -114.208
where: short stacking energy: -52.919
Base-Backbone interact. energy: -0.016
local terms energy: -65.355456
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -12.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -189.519797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.519797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.519797 (E_RNA)
where:
Base-Base interactions energy: -125.973
where: short stacking energy: -68.949
Base-Backbone interact. energy: -0.001
local terms energy: -63.546379
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -191.504347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.504347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.504347 (E_RNA)
where:
Base-Base interactions energy: -133.425
where: short stacking energy: -62.306
Base-Backbone interact. energy: -0.002
local terms energy: -58.077299
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -177.601033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.601033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.601033 (E_RNA)
where:
Base-Base interactions energy: -111.117
where: short stacking energy: -58.686
Base-Backbone interact. energy: -0.441
local terms energy: -66.042629
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -12.375
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: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -115.418679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.418679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.418679 (E_RNA)
where:
Base-Base interactions energy: -64.135
where: short stacking energy: -41.504
Base-Backbone interact. energy: -1.085
local terms energy: -50.199213
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -87.725875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.725875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.725875 (E_RNA)
where:
Base-Base interactions energy: -45.488
where: short stacking energy: -44.157
Base-Backbone interact. energy: -0.352
local terms energy: -41.885959
where:
bonds (distance) C4'-P energy: -6.211
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -6.754
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: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -236.959096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.959096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.959096 (E_RNA)
where:
Base-Base interactions energy: -155.109
where: short stacking energy: -79.685
Base-Backbone interact. energy: -0.607
local terms energy: -81.243197
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -20.401
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: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -235.719136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.719136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.719136 (E_RNA)
where:
Base-Base interactions energy: -151.961
where: short stacking energy: -78.228
Base-Backbone interact. energy: -0.429
local terms energy: -83.328726
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -13.918
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: 3, replica: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -186.101390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.101390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.101390 (E_RNA)
where:
Base-Base interactions energy: -113.830
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.638
local terms energy: -71.632741
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -15.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -189.278333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.278333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.278333 (E_RNA)
where:
Base-Base interactions energy: -118.161
where: short stacking energy: -66.779
Base-Backbone interact. energy: -0.255
local terms energy: -70.862664
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -16.031
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: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -190.613695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.613695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.613695 (E_RNA)
where:
Base-Base interactions energy: -124.627
where: short stacking energy: -54.803
Base-Backbone interact. energy: -0.007
local terms energy: -65.979970
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -10.621
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: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -187.998098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.998098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.998098 (E_RNA)
where:
Base-Base interactions energy: -119.925
where: short stacking energy: -71.652
Base-Backbone interact. energy: -0.133
local terms energy: -67.939202
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -176.199732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.199732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.199732 (E_RNA)
where:
Base-Base interactions energy: -111.653
where: short stacking energy: -60.884
Base-Backbone interact. energy: -1.152
local terms energy: -63.394113
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -13.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -194.103491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.103491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.103491 (E_RNA)
where:
Base-Base interactions energy: -125.822
where: short stacking energy: -59.134
Base-Backbone interact. energy: -0.094
local terms energy: -68.187243
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -15.248
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: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -122.474777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.474777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.474777 (E_RNA)
where:
Base-Base interactions energy: -65.796
where: short stacking energy: -28.277
Base-Backbone interact. energy: -0.326
local terms energy: -56.352007
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -91.515097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.515097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.515097 (E_RNA)
where:
Base-Base interactions energy: -43.813
where: short stacking energy: -27.480
Base-Backbone interact. energy: 0.273
local terms energy: -47.974979
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -3.199
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -239.150001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.150001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.150001 (E_RNA)
where:
Base-Base interactions energy: -155.460
where: short stacking energy: -81.075
Base-Backbone interact. energy: -0.015
local terms energy: -83.674312
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -13.223
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: 2, replica: 6
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -238.845458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.845458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.845458 (E_RNA)
where:
Base-Base interactions energy: -162.603
where: short stacking energy: -85.712
Base-Backbone interact. energy: -0.037
local terms energy: -76.205796
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -210.268457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.268457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.268457 (E_RNA)
where:
Base-Base interactions energy: -146.463
where: short stacking energy: -62.823
Base-Backbone interact. energy: -0.025
local terms energy: -63.781206
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -9.256
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -6.094
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: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -190.554165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.554165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.554165 (E_RNA)
where:
Base-Base interactions energy: -122.827
where: short stacking energy: -66.554
Base-Backbone interact. energy: -0.161
local terms energy: -67.566282
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -189.331250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.331250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.331250 (E_RNA)
where:
Base-Base interactions energy: -119.540
where: short stacking energy: -59.820
Base-Backbone interact. energy: -0.379
local terms energy: -69.412507
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -16.864
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: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -176.052374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.052374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.052374 (E_RNA)
where:
Base-Base interactions energy: -113.773
where: short stacking energy: -59.509
Base-Backbone interact. energy: -0.169
local terms energy: -62.110185
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -9.984
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -184.372972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.372972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.372972 (E_RNA)
where:
Base-Base interactions energy: -119.248
where: short stacking energy: -62.304
Base-Backbone interact. energy: -0.148
local terms energy: -64.977380
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -173.772136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.772136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.772136 (E_RNA)
where:
Base-Base interactions energy: -114.659
where: short stacking energy: -61.693
Base-Backbone interact. energy: -0.176
local terms energy: -58.937260
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -91.811073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.811073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.811073 (E_RNA)
where:
Base-Base interactions energy: -35.345
where: short stacking energy: -34.639
Base-Backbone interact. energy: -0.036
local terms energy: -56.429451
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -3.044
tors. eta vs tors. theta energy: -8.138
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: 5
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -81.103319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.103319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.103319 (E_RNA)
where:
Base-Base interactions energy: -37.107
where: short stacking energy: -29.472
Base-Backbone interact. energy: -0.235
local terms energy: -43.761280
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -2.491
tors. eta vs tors. theta energy: -4.422
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: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -238.027192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.027192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.027192 (E_RNA)
where:
Base-Base interactions energy: -155.708
where: short stacking energy: -77.111
Base-Backbone interact. energy: -0.000
local terms energy: -82.318895
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -22.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -238.455630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.455630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.455630 (E_RNA)
where:
Base-Base interactions energy: -159.040
where: short stacking energy: -83.507
Base-Backbone interact. energy: -0.291
local terms energy: -79.124878
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -213.124431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.124431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.124431 (E_RNA)
where:
Base-Base interactions energy: -141.400
where: short stacking energy: -75.806
Base-Backbone interact. energy: -0.278
local terms energy: -71.446360
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -12.055
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: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -200.515783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.515783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.515783 (E_RNA)
where:
Base-Base interactions energy: -128.477
where: short stacking energy: -76.486
Base-Backbone interact. energy: -0.001
local terms energy: -72.038368
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -192.512186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.512186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.512186 (E_RNA)
where:
Base-Base interactions energy: -125.486
where: short stacking energy: -57.690
Base-Backbone interact. energy: -0.443
local terms energy: -66.582891
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -11.091
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: 6, replica: 1
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -195.573517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.573517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.573517 (E_RNA)
where:
Base-Base interactions energy: -131.405
where: short stacking energy: -56.297
Base-Backbone interact. energy: -0.104
local terms energy: -64.064828
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -15.513
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: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -188.749624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.749624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.749624 (E_RNA)
where:
Base-Base interactions energy: -120.893
where: short stacking energy: -59.541
Base-Backbone interact. energy: -0.094
local terms energy: -67.762656
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -8.468
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: 8, replica: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -176.677220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.677220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.677220 (E_RNA)
where:
Base-Base interactions energy: -123.299
where: short stacking energy: -55.350
Base-Backbone interact. energy: -0.100
local terms energy: -53.278131
where:
bonds (distance) C4'-P energy: -7.044
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -88.748869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.748869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.748869 (E_RNA)
where:
Base-Base interactions energy: -35.048
where: short stacking energy: -35.048
Base-Backbone interact. energy: -0.649
local terms energy: -53.052665
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -110.161344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.161344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.161344 (E_RNA)
where:
Base-Base interactions energy: -69.690
where: short stacking energy: -44.618
Base-Backbone interact. energy: -0.127
local terms energy: -40.344492
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -10.093
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -1.389
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: 1, replica: 6
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -231.052766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.052766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.052766 (E_RNA)
where:
Base-Base interactions energy: -148.753
where: short stacking energy: -72.071
Base-Backbone interact. energy: -0.162
local terms energy: -82.137965
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -10.549
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: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -230.165767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.165767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.165767 (E_RNA)
where:
Base-Base interactions energy: -151.053
where: short stacking energy: -73.984
Base-Backbone interact. energy: -0.000
local terms energy: -79.112275
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -10.974
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: 3, replica: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -240.230631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.230631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.230631 (E_RNA)
where:
Base-Base interactions energy: -161.715
where: short stacking energy: -85.029
Base-Backbone interact. energy: -0.016
local terms energy: -78.498845
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -21.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -212.004181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.004181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.004181 (E_RNA)
where:
Base-Base interactions energy: -138.510
where: short stacking energy: -70.068
Base-Backbone interact. energy: -0.082
local terms energy: -73.412451
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -17.417
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: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -202.770517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.770517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.770517 (E_RNA)
where:
Base-Base interactions energy: -130.050
where: short stacking energy: -66.438
Base-Backbone interact. energy: -0.024
local terms energy: -72.696097
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -185.002840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.002840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.002840 (E_RNA)
where:
Base-Base interactions energy: -125.624
where: short stacking energy: -58.224
Base-Backbone interact. energy: -0.209
local terms energy: -59.170264
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -13.936
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: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -176.877012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.877012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.877012 (E_RNA)
where:
Base-Base interactions energy: -107.717
where: short stacking energy: -53.130
Base-Backbone interact. energy: 1.046
local terms energy: -70.206399
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -191.794573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.794573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.794573 (E_RNA)
where:
Base-Base interactions energy: -128.015
where: short stacking energy: -65.192
Base-Backbone interact. energy: -0.982
local terms energy: -62.797327
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -162.778566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.778566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.778566 (E_RNA)
where:
Base-Base interactions energy: -108.072
where: short stacking energy: -51.547
Base-Backbone interact. energy: -0.023
local terms energy: -54.683061
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -81.208087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.208087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.208087 (E_RNA)
where:
Base-Base interactions energy: -31.827
where: short stacking energy: -31.827
Base-Backbone interact. energy: -0.189
local terms energy: -49.192658
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -6.291
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -235.247162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.247162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.247162 (E_RNA)
where:
Base-Base interactions energy: -150.218
where: short stacking energy: -73.128
Base-Backbone interact. energy: -0.000
local terms energy: -85.028622
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -24.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -228.183064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.183064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.183064 (E_RNA)
where:
Base-Base interactions energy: -153.060
where: short stacking energy: -81.211
Base-Backbone interact. energy: -0.319
local terms energy: -74.804473
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -227.940439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.940439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.940439 (E_RNA)
where:
Base-Base interactions energy: -150.721
where: short stacking energy: -78.438
Base-Backbone interact. energy: -0.368
local terms energy: -76.851336
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -215.361336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.361336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.361336 (E_RNA)
where:
Base-Base interactions energy: -150.058
where: short stacking energy: -81.025
Base-Backbone interact. energy: -0.006
local terms energy: -65.297431
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -201.082306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.082306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.082306 (E_RNA)
where:
Base-Base interactions energy: -127.526
where: short stacking energy: -67.884
Base-Backbone interact. energy: -0.009
local terms energy: -73.547481
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -18.521
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: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -182.636364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.636364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.636364 (E_RNA)
where:
Base-Base interactions energy: -122.882
where: short stacking energy: -58.655
Base-Backbone interact. energy: -0.022
local terms energy: -59.732427
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -14.589
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: 405
Temperature: 1.200000
Total energy: -194.484982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.484982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.484982 (E_RNA)
where:
Base-Base interactions energy: -130.658
where: short stacking energy: -69.308
Base-Backbone interact. energy: -0.888
local terms energy: -62.938611
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -188.149918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.149918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.149918 (E_RNA)
where:
Base-Base interactions energy: -118.750
where: short stacking energy: -48.565
Base-Backbone interact. energy: 0.252
local terms energy: -69.651455
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -14.377
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: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -164.731892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.731892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.731892 (E_RNA)
where:
Base-Base interactions energy: -112.716
where: short stacking energy: -56.024
Base-Backbone interact. energy: 2.111
local terms energy: -54.127243
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -9.265
flat angles P-C4'-P energy: -10.482
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: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -93.768108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.768108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.768108 (E_RNA)
where:
Base-Base interactions energy: -44.023
where: short stacking energy: -37.792
Base-Backbone interact. energy: 0.045
local terms energy: -49.789974
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -3.905
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: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -236.550962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.550962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.550962 (E_RNA)
where:
Base-Base interactions energy: -153.197
where: short stacking energy: -71.484
Base-Backbone interact. energy: -0.664
local terms energy: -82.690408
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -23.456
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: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -235.735005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.735005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.735005 (E_RNA)
where:
Base-Base interactions energy: -155.650
where: short stacking energy: -77.529
Base-Backbone interact. energy: -0.990
local terms energy: -79.094626
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -231.898727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.898727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.898727 (E_RNA)
where:
Base-Base interactions energy: -155.316
where: short stacking energy: -78.699
Base-Backbone interact. energy: -0.000
local terms energy: -76.582315
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -21.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -201.192393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.192393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.192393 (E_RNA)
where:
Base-Base interactions energy: -136.630
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.034
local terms energy: -64.527616
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -187.056948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.056948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.056948 (E_RNA)
where:
Base-Base interactions energy: -123.463
where: short stacking energy: -61.665
Base-Backbone interact. energy: -0.130
local terms energy: -63.463798
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -13.748
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: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -189.869588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.869588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.869588 (E_RNA)
where:
Base-Base interactions energy: -124.098
where: short stacking energy: -69.496
Base-Backbone interact. energy: 0.815
local terms energy: -66.586913
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -11.734
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: 7, replica: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -183.605620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.605620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.605620 (E_RNA)
where:
Base-Base interactions energy: -114.897
where: short stacking energy: -62.487
Base-Backbone interact. energy: -0.002
local terms energy: -68.706215
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -164.969432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.969432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.969432 (E_RNA)
where:
Base-Base interactions energy: -101.553
where: short stacking energy: -51.090
Base-Backbone interact. energy: 0.333
local terms energy: -63.749545
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -9.178
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: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -177.804075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.804075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.804075 (E_RNA)
where:
Base-Base interactions energy: -115.912
where: short stacking energy: -49.702
Base-Backbone interact. energy: -0.095
local terms energy: -61.796766
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -11.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -85.726041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.726041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.726041 (E_RNA)
where:
Base-Base interactions energy: -32.126
where: short stacking energy: -29.722
Base-Backbone interact. energy: -0.242
local terms energy: -53.358388
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -237.896400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.896400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.896400 (E_RNA)
where:
Base-Base interactions energy: -158.167
where: short stacking energy: -82.479
Base-Backbone interact. energy: -0.003
local terms energy: -79.726578
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -234.055887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.055887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.055887 (E_RNA)
where:
Base-Base interactions energy: -152.937
where: short stacking energy: -75.597
Base-Backbone interact. energy: -0.001
local terms energy: -81.117173
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -235.143428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.143428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.143428 (E_RNA)
where:
Base-Base interactions energy: -158.489
where: short stacking energy: -82.373
Base-Backbone interact. energy: -0.001
local terms energy: -76.653687
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -194.442256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.442256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.442256 (E_RNA)
where:
Base-Base interactions energy: -132.615
where: short stacking energy: -68.367
Base-Backbone interact. energy: -0.155
local terms energy: -61.672194
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -201.424413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.424413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.424413 (E_RNA)
where:
Base-Base interactions energy: -123.770
where: short stacking energy: -67.751
Base-Backbone interact. energy: -0.435
local terms energy: -77.219082
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -11.262
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: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -198.933781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.933781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.933781 (E_RNA)
where:
Base-Base interactions energy: -135.770
where: short stacking energy: -58.704
Base-Backbone interact. energy: 3.512
local terms energy: -66.676437
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -12.735
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: 7, replica: 7
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -178.980215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.980215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.980215 (E_RNA)
where:
Base-Base interactions energy: -110.553
where: short stacking energy: -57.417
Base-Backbone interact. energy: 0.887
local terms energy: -69.314778
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -11.639
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: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -172.848387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.848387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.848387 (E_RNA)
where:
Base-Base interactions energy: -113.038
where: short stacking energy: -57.589
Base-Backbone interact. energy: -0.115
local terms energy: -59.695968
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -6.807
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: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -170.466673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.466673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.466673 (E_RNA)
where:
Base-Base interactions energy: -108.825
where: short stacking energy: -57.895
Base-Backbone interact. energy: -0.101
local terms energy: -61.541595
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -8.789
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: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -93.395564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.395564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.395564 (E_RNA)
where:
Base-Base interactions energy: -47.384
where: short stacking energy: -35.836
Base-Backbone interact. energy: -0.097
local terms energy: -45.914309
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: 0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -240.760485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.760485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.760485 (E_RNA)
where:
Base-Base interactions energy: -161.750
where: short stacking energy: -80.203
Base-Backbone interact. energy: -0.528
local terms energy: -78.482543
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -21.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -233.095296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.095296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.095296 (E_RNA)
where:
Base-Base interactions energy: -160.227
where: short stacking energy: -80.816
Base-Backbone interact. energy: 0.906
local terms energy: -73.773476
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -20.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -207.337338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.337338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.337338 (E_RNA)
where:
Base-Base interactions energy: -126.480
where: short stacking energy: -69.866
Base-Backbone interact. energy: -1.066
local terms energy: -79.791013
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -221.355746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.355746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.355746 (E_RNA)
where:
Base-Base interactions energy: -150.291
where: short stacking energy: -71.606
Base-Backbone interact. energy: -0.137
local terms energy: -70.927742
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -12.514
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: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -205.907735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.907735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.907735 (E_RNA)
where:
Base-Base interactions energy: -140.000
where: short stacking energy: -68.223
Base-Backbone interact. energy: -0.052
local terms energy: -65.855983
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -8.796
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: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -213.395505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.395505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.395505 (E_RNA)
where:
Base-Base interactions energy: -140.965
where: short stacking energy: -75.139
Base-Backbone interact. energy: -0.015
local terms energy: -72.415042
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -181.783925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.783925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.783925 (E_RNA)
where:
Base-Base interactions energy: -123.765
where: short stacking energy: -64.014
Base-Backbone interact. energy: -0.102
local terms energy: -57.917244
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -8.210
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -10.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -176.769127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.769127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.769127 (E_RNA)
where:
Base-Base interactions energy: -114.729
where: short stacking energy: -53.862
Base-Backbone interact. energy: -0.649
local terms energy: -61.390468
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -170.075151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.075151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.075151 (E_RNA)
where:
Base-Base interactions energy: -106.720
where: short stacking energy: -55.251
Base-Backbone interact. energy: -0.033
local terms energy: -63.321607
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -9.908
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: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -86.100425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.100425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.100425 (E_RNA)
where:
Base-Base interactions energy: -41.176
where: short stacking energy: -25.649
Base-Backbone interact. energy: -0.328
local terms energy: -44.596059
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -8.642
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -237.467940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.467940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.467940 (E_RNA)
where:
Base-Base interactions energy: -155.272
where: short stacking energy: -82.120
Base-Backbone interact. energy: -0.697
local terms energy: -81.499515
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -23.490
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: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -232.779321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.779321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.779321 (E_RNA)
where:
Base-Base interactions energy: -153.216
where: short stacking energy: -75.267
Base-Backbone interact. energy: -0.369
local terms energy: -79.194465
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -193.154257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.154257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.154257 (E_RNA)
where:
Base-Base interactions energy: -121.387
where: short stacking energy: -57.030
Base-Backbone interact. energy: -0.349
local terms energy: -71.418061
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -12.354
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: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -221.485046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.485046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.485046 (E_RNA)
where:
Base-Base interactions energy: -144.869
where: short stacking energy: -74.419
Base-Backbone interact. energy: -0.326
local terms energy: -76.289701
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -17.644
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: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -223.274794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.274794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.274794 (E_RNA)
where:
Base-Base interactions energy: -147.661
where: short stacking energy: -71.692
Base-Backbone interact. energy: -0.041
local terms energy: -75.572791
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -191.931558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.931558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.931558 (E_RNA)
where:
Base-Base interactions energy: -125.935
where: short stacking energy: -64.387
Base-Backbone interact. energy: -0.145
local terms energy: -65.851207
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -199.131727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.131727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.131727 (E_RNA)
where:
Base-Base interactions energy: -124.903
where: short stacking energy: -60.309
Base-Backbone interact. energy: -0.007
local terms energy: -74.221800
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -15.550
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: 409
Temperature: 1.250000
Total energy: -164.482645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.482645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.482645 (E_RNA)
where:
Base-Base interactions energy: -99.449
where: short stacking energy: -52.571
Base-Backbone interact. energy: -0.050
local terms energy: -64.984418
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -171.479504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.479504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.479504 (E_RNA)
where:
Base-Base interactions energy: -117.635
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.050
local terms energy: -53.795090
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -8.440
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -10.190
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: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -106.237902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.237902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.237902 (E_RNA)
where:
Base-Base interactions energy: -60.977
where: short stacking energy: -38.610
Base-Backbone interact. energy: 0.078
local terms energy: -45.338425
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -5.893
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -234.797877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.797877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.797877 (E_RNA)
where:
Base-Base interactions energy: -158.573
where: short stacking energy: -80.185
Base-Backbone interact. energy: -0.001
local terms energy: -76.223886
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -13.295
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: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -232.718082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.718082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.718082 (E_RNA)
where:
Base-Base interactions energy: -152.048
where: short stacking energy: -75.169
Base-Backbone interact. energy: -0.000
local terms energy: -80.669851
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -19.908
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: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -219.061063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.061063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.061063 (E_RNA)
where:
Base-Base interactions energy: -144.356
where: short stacking energy: -73.246
Base-Backbone interact. energy: -0.612
local terms energy: -74.094017
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -11.746
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: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -192.568534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.568534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.568534 (E_RNA)
where:
Base-Base interactions energy: -122.906
where: short stacking energy: -68.905
Base-Backbone interact. energy: -0.005
local terms energy: -69.657818
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -19.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -196.879637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.879637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.879637 (E_RNA)
where:
Base-Base interactions energy: -123.478
where: short stacking energy: -64.972
Base-Backbone interact. energy: -0.303
local terms energy: -73.097708
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.836
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: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -219.238050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.238050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.238050 (E_RNA)
where:
Base-Base interactions energy: -146.529
where: short stacking energy: -72.751
Base-Backbone interact. energy: -0.179
local terms energy: -72.530450
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -187.724867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.724867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.724867 (E_RNA)
where:
Base-Base interactions energy: -128.776
where: short stacking energy: -59.353
Base-Backbone interact. energy: -0.217
local terms energy: -58.731757
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -10.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -176.263743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.263743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.263743 (E_RNA)
where:
Base-Base interactions energy: -111.562
where: short stacking energy: -54.421
Base-Backbone interact. energy: -0.143
local terms energy: -64.559216
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -12.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -159.714807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.714807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.714807 (E_RNA)
where:
Base-Base interactions energy: -105.329
where: short stacking energy: -48.007
Base-Backbone interact. energy: 1.041
local terms energy: -55.427421
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -9.179
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: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -94.656847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.656847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.656847 (E_RNA)
where:
Base-Base interactions energy: -33.574
where: short stacking energy: -32.260
Base-Backbone interact. energy: -0.303
local terms energy: -60.779415
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -5.632
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: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -237.344158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.344158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.344158 (E_RNA)
where:
Base-Base interactions energy: -159.387
where: short stacking energy: -80.362
Base-Backbone interact. energy: -0.813
local terms energy: -77.143915
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -22.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -230.885280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.885280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.885280 (E_RNA)
where:
Base-Base interactions energy: -154.252
where: short stacking energy: -79.532
Base-Backbone interact. energy: -0.001
local terms energy: -76.632940
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -22.294
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: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -226.199163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.199163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.199163 (E_RNA)
where:
Base-Base interactions energy: -147.363
where: short stacking energy: -73.792
Base-Backbone interact. energy: -0.027
local terms energy: -78.808903
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -23.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -208.657784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.657784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.657784 (E_RNA)
where:
Base-Base interactions energy: -137.368
where: short stacking energy: -62.100
Base-Backbone interact. energy: -0.019
local terms energy: -71.270024
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -15.307
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: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -181.834981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.834981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.834981 (E_RNA)
where:
Base-Base interactions energy: -121.432
where: short stacking energy: -62.924
Base-Backbone interact. energy: -0.009
local terms energy: -60.393772
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -4.141
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -223.350476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.350476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.350476 (E_RNA)
where:
Base-Base interactions energy: -150.201
where: short stacking energy: -75.253
Base-Backbone interact. energy: -0.426
local terms energy: -72.723539
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -20.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -185.458408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.458408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.458408 (E_RNA)
where:
Base-Base interactions energy: -121.093
where: short stacking energy: -55.900
Base-Backbone interact. energy: -0.003
local terms energy: -64.362979
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -16.573
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: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -188.231237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.231237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.231237 (E_RNA)
where:
Base-Base interactions energy: -126.164
where: short stacking energy: -63.660
Base-Backbone interact. energy: -0.533
local terms energy: -61.534225
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -5.900
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: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -157.868496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.868496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.868496 (E_RNA)
where:
Base-Base interactions energy: -97.103
where: short stacking energy: -41.215
Base-Backbone interact. energy: -0.047
local terms energy: -60.718817
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -6.544
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: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -87.599639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.599639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.599639 (E_RNA)
where:
Base-Base interactions energy: -30.896
where: short stacking energy: -30.896
Base-Backbone interact. energy: -0.180
local terms energy: -56.523314
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -238.761883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.761883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.761883 (E_RNA)
where:
Base-Base interactions energy: -163.312
where: short stacking energy: -85.155
Base-Backbone interact. energy: -0.000
local terms energy: -75.450148
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -9.403
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: 2, replica: 6
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -244.878288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.878288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.878288 (E_RNA)
where:
Base-Base interactions energy: -162.963
where: short stacking energy: -88.132
Base-Backbone interact. energy: -0.945
local terms energy: -80.970905
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -217.440848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.440848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.440848 (E_RNA)
where:
Base-Base interactions energy: -142.253
where: short stacking energy: -74.410
Base-Backbone interact. energy: -0.003
local terms energy: -75.184993
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -188.194002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.194002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.194002 (E_RNA)
where:
Base-Base interactions energy: -123.170
where: short stacking energy: -61.754
Base-Backbone interact. energy: -0.502
local terms energy: -64.522733
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -13.488
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: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -214.531241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.531241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.531241 (E_RNA)
where:
Base-Base interactions energy: -138.955
where: short stacking energy: -69.264
Base-Backbone interact. energy: -0.340
local terms energy: -75.236508
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -189.237218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.237218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.237218 (E_RNA)
where:
Base-Base interactions energy: -124.029
where: short stacking energy: -69.562
Base-Backbone interact. energy: -0.135
local terms energy: -65.072631
where:
bonds (distance) C4'-P energy: -9.004
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -7.979
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: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -192.891782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.891782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.891782 (E_RNA)
where:
Base-Base interactions energy: -133.284
where: short stacking energy: -66.772
Base-Backbone interact. energy: -0.037
local terms energy: -59.570912
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -181.766765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.766765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.766765 (E_RNA)
where:
Base-Base interactions energy: -117.406
where: short stacking energy: -57.869
Base-Backbone interact. energy: -0.734
local terms energy: -63.627241
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -12.284
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: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -168.707954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.707954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.707954 (E_RNA)
where:
Base-Base interactions energy: -102.910
where: short stacking energy: -57.203
Base-Backbone interact. energy: -0.486
local terms energy: -65.311908
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -9.942
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: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -84.284901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.284901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.284901 (E_RNA)
where:
Base-Base interactions energy: -33.930
where: short stacking energy: -33.930
Base-Backbone interact. energy: -0.011
local terms energy: -50.344708
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -9.657
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -241.375605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.375605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.375605 (E_RNA)
where:
Base-Base interactions energy: -164.351
where: short stacking energy: -88.561
Base-Backbone interact. energy: -0.451
local terms energy: -76.574392
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -18.553
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: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -227.149845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.149845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.149845 (E_RNA)
where:
Base-Base interactions energy: -147.073
where: short stacking energy: -71.714
Base-Backbone interact. energy: -0.058
local terms energy: -80.018979
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -226.721164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.721164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.721164 (E_RNA)
where:
Base-Base interactions energy: -149.620
where: short stacking energy: -73.651
Base-Backbone interact. energy: -0.018
local terms energy: -77.083491
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -18.162
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: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -225.608221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.608221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.608221 (E_RNA)
where:
Base-Base interactions energy: -150.255
where: short stacking energy: -74.348
Base-Backbone interact. energy: 2.281
local terms energy: -77.634319
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -184.018485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.018485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.018485 (E_RNA)
where:
Base-Base interactions energy: -115.853
where: short stacking energy: -63.501
Base-Backbone interact. energy: -0.099
local terms energy: -68.066953
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -14.477
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: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -187.848734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.848734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.848734 (E_RNA)
where:
Base-Base interactions energy: -127.440
where: short stacking energy: -72.017
Base-Backbone interact. energy: -0.269
local terms energy: -60.139065
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -16.994
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: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -194.467241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.467241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.467241 (E_RNA)
where:
Base-Base interactions energy: -124.756
where: short stacking energy: -68.986
Base-Backbone interact. energy: -0.003
local terms energy: -69.708460
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -174.590157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.590157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.590157 (E_RNA)
where:
Base-Base interactions energy: -110.438
where: short stacking energy: -55.261
Base-Backbone interact. energy: -0.910
local terms energy: -63.241775
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -12.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -159.395538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.395538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.395538 (E_RNA)
where:
Base-Base interactions energy: -98.975
where: short stacking energy: -52.137
Base-Backbone interact. energy: -0.281
local terms energy: -60.138936
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -8.595
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: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -80.245507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.245507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.245507 (E_RNA)
where:
Base-Base interactions energy: -36.010
where: short stacking energy: -36.010
Base-Backbone interact. energy: -0.154
local terms energy: -44.080651
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -235.439839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.439839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.439839 (E_RNA)
where:
Base-Base interactions energy: -154.465
where: short stacking energy: -77.910
Base-Backbone interact. energy: -0.295
local terms energy: -80.679523
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -13.734
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: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -222.240108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.240108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.240108 (E_RNA)
where:
Base-Base interactions energy: -144.955
where: short stacking energy: -75.630
Base-Backbone interact. energy: -0.141
local terms energy: -77.143375
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -229.310755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.310755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.310755 (E_RNA)
where:
Base-Base interactions energy: -149.986
where: short stacking energy: -75.493
Base-Backbone interact. energy: 0.081
local terms energy: -79.406425
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -200.079328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.079328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.079328 (E_RNA)
where:
Base-Base interactions energy: -123.480
where: short stacking energy: -75.735
Base-Backbone interact. energy: 0.178
local terms energy: -76.777715
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -14.444
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: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -195.627069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.627069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.627069 (E_RNA)
where:
Base-Base interactions energy: -122.238
where: short stacking energy: -57.476
Base-Backbone interact. energy: -0.155
local terms energy: -73.233718
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -14.950
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: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -185.838192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.838192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.838192 (E_RNA)
where:
Base-Base interactions energy: -125.589
where: short stacking energy: -61.719
Base-Backbone interact. energy: 0.450
local terms energy: -60.698614
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -8.881
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: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -187.098009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.098009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.098009 (E_RNA)
where:
Base-Base interactions energy: -114.916
where: short stacking energy: -60.166
Base-Backbone interact. energy: -0.234
local terms energy: -71.947590
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -17.400
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: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -173.334532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.334532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.334532 (E_RNA)
where:
Base-Base interactions energy: -115.714
where: short stacking energy: -56.194
Base-Backbone interact. energy: -0.026
local terms energy: -57.594294
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -8.755
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -89.131919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.131919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.131919 (E_RNA)
where:
Base-Base interactions energy: -33.388
where: short stacking energy: -34.688
Base-Backbone interact. energy: -0.161
local terms energy: -55.582916
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -156.028254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.028254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.028254 (E_RNA)
where:
Base-Base interactions energy: -98.520
where: short stacking energy: -46.249
Base-Backbone interact. energy: -0.405
local terms energy: -57.104040
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -9.049
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -11.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -236.812443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.812443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.812443 (E_RNA)
where:
Base-Base interactions energy: -151.718
where: short stacking energy: -80.763
Base-Backbone interact. energy: -0.149
local terms energy: -84.946147
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -23.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -232.904917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.904917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.904917 (E_RNA)
where:
Base-Base interactions energy: -157.215
where: short stacking energy: -76.465
Base-Backbone interact. energy: 0.325
local terms energy: -76.015590
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -207.579552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.579552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.579552 (E_RNA)
where:
Base-Base interactions energy: -142.182
where: short stacking energy: -69.942
Base-Backbone interact. energy: -0.641
local terms energy: -64.757338
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -211.076402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.076402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.076402 (E_RNA)
where:
Base-Base interactions energy: -139.486
where: short stacking energy: -63.304
Base-Backbone interact. energy: 0.467
local terms energy: -72.057115
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -196.718008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.718008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.718008 (E_RNA)
where:
Base-Base interactions energy: -133.569
where: short stacking energy: -64.901
Base-Backbone interact. energy: -0.549
local terms energy: -62.599062
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -1.773
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: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -196.436609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.436609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.436609 (E_RNA)
where:
Base-Base interactions energy: -129.850
where: short stacking energy: -67.025
Base-Backbone interact. energy: -0.063
local terms energy: -66.523208
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -183.288034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.288034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.288034 (E_RNA)
where:
Base-Base interactions energy: -115.555
where: short stacking energy: -57.451
Base-Backbone interact. energy: -0.003
local terms energy: -67.730453
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -175.125620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.125620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.125620 (E_RNA)
where:
Base-Base interactions energy: -109.031
where: short stacking energy: -53.729
Base-Backbone interact. energy: -0.098
local terms energy: -65.995836
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -12.187
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: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -103.870568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.870568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.870568 (E_RNA)
where:
Base-Base interactions energy: -49.796
where: short stacking energy: -49.796
Base-Backbone interact. energy: -0.173
local terms energy: -53.901149
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -5.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -147.705300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.705300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.705300 (E_RNA)
where:
Base-Base interactions energy: -89.696
where: short stacking energy: -40.925
Base-Backbone interact. energy: 0.032
local terms energy: -58.041504
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -8.103
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: 1, replica: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -238.785091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.785091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.785091 (E_RNA)
where:
Base-Base interactions energy: -161.077
where: short stacking energy: -86.301
Base-Backbone interact. energy: -0.001
local terms energy: -77.707242
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -20.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -232.366985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.366985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.366985 (E_RNA)
where:
Base-Base interactions energy: -156.082
where: short stacking energy: -81.475
Base-Backbone interact. energy: -0.671
local terms energy: -75.613275
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -22.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -204.995357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.995357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.995357 (E_RNA)
where:
Base-Base interactions energy: -136.214
where: short stacking energy: -64.314
Base-Backbone interact. energy: -0.460
local terms energy: -68.321916
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -205.494389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.494389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.494389 (E_RNA)
where:
Base-Base interactions energy: -139.400
where: short stacking energy: -67.249
Base-Backbone interact. energy: 0.321
local terms energy: -66.415267
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -17.652
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: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -203.253234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.253234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.253234 (E_RNA)
where:
Base-Base interactions energy: -136.179
where: short stacking energy: -75.619
Base-Backbone interact. energy: -0.264
local terms energy: -66.810170
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -190.759840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.759840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.759840 (E_RNA)
where:
Base-Base interactions energy: -124.634
where: short stacking energy: -62.150
Base-Backbone interact. energy: -0.001
local terms energy: -66.124580
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -15.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -166.512725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.512725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.512725 (E_RNA)
where:
Base-Base interactions energy: -106.822
where: short stacking energy: -52.348
Base-Backbone interact. energy: -0.022
local terms energy: -59.668246
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -9.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -176.461731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.461731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.461731 (E_RNA)
where:
Base-Base interactions energy: -114.764
where: short stacking energy: -51.730
Base-Backbone interact. energy: 1.712
local terms energy: -63.410413
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -159.337495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.337495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.337495 (E_RNA)
where:
Base-Base interactions energy: -103.004
where: short stacking energy: -57.112
Base-Backbone interact. energy: -1.012
local terms energy: -55.322264
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -7.031
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -86.404119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.404119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.404119 (E_RNA)
where:
Base-Base interactions energy: -39.624
where: short stacking energy: -38.531
Base-Backbone interact. energy: -0.226
local terms energy: -46.554168
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -8.002
flat angles P-C4'-P energy: -2.989
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -236.400833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.400833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.400833 (E_RNA)
where:
Base-Base interactions energy: -156.469
where: short stacking energy: -78.201
Base-Backbone interact. energy: -0.173
local terms energy: -79.758138
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -20.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -238.493521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.493521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.493521 (E_RNA)
where:
Base-Base interactions energy: -158.339
where: short stacking energy: -83.633
Base-Backbone interact. energy: -0.389
local terms energy: -79.765545
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -204.243595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.243595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.243595 (E_RNA)
where:
Base-Base interactions energy: -136.184
where: short stacking energy: -72.595
Base-Backbone interact. energy: -0.010
local terms energy: -68.048926
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -16.795
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: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -210.424867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.424867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.424867 (E_RNA)
where:
Base-Base interactions energy: -140.037
where: short stacking energy: -62.229
Base-Backbone interact. energy: -0.362
local terms energy: -70.025407
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -208.984830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.984830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.984830 (E_RNA)
where:
Base-Base interactions energy: -139.908
where: short stacking energy: -70.187
Base-Backbone interact. energy: -0.019
local terms energy: -69.057423
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -21.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -191.504017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.504017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.504017 (E_RNA)
where:
Base-Base interactions energy: -120.086
where: short stacking energy: -57.364
Base-Backbone interact. energy: -0.002
local terms energy: -71.415721
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -180.552186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.552186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.552186 (E_RNA)
where:
Base-Base interactions energy: -108.781
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.081
local terms energy: -71.690158
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -183.712241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.712241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.712241 (E_RNA)
where:
Base-Base interactions energy: -113.686
where: short stacking energy: -56.974
Base-Backbone interact. energy: -0.336
local terms energy: -69.690187
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -11.908
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: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -171.758478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.758478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.758478 (E_RNA)
where:
Base-Base interactions energy: -118.006
where: short stacking energy: -61.948
Base-Backbone interact. energy: -0.217
local terms energy: -53.535334
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -7.558
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -88.739491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.739491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.739491 (E_RNA)
where:
Base-Base interactions energy: -36.164
where: short stacking energy: -35.588
Base-Backbone interact. energy: -0.172
local terms energy: -52.404335
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -238.210339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.210339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.210339 (E_RNA)
where:
Base-Base interactions energy: -156.531
where: short stacking energy: -80.245
Base-Backbone interact. energy: -0.454
local terms energy: -81.225353
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -22.082
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: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -239.214176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.214176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.214176 (E_RNA)
where:
Base-Base interactions energy: -158.112
where: short stacking energy: -77.535
Base-Backbone interact. energy: -0.001
local terms energy: -81.101063
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -21.837
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: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -222.710356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.710356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.710356 (E_RNA)
where:
Base-Base interactions energy: -145.221
where: short stacking energy: -73.259
Base-Backbone interact. energy: -0.032
local terms energy: -77.457767
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -192.248737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.248737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.248737 (E_RNA)
where:
Base-Base interactions energy: -122.583
where: short stacking energy: -66.796
Base-Backbone interact. energy: -0.002
local terms energy: -69.663989
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -10.020
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: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -185.322927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.322927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.322927 (E_RNA)
where:
Base-Base interactions energy: -118.766
where: short stacking energy: -62.634
Base-Backbone interact. energy: -0.031
local terms energy: -66.525885
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -7.916
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: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -182.508844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.508844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.508844 (E_RNA)
where:
Base-Base interactions energy: -117.348
where: short stacking energy: -54.735
Base-Backbone interact. energy: -0.758
local terms energy: -64.402467
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -167.653201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.653201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.653201 (E_RNA)
where:
Base-Base interactions energy: -101.007
where: short stacking energy: -50.372
Base-Backbone interact. energy: -0.070
local terms energy: -66.576527
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -11.864
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: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -173.802727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.802727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.802727 (E_RNA)
where:
Base-Base interactions energy: -116.317
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.206
local terms energy: -57.280069
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -170.720580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.720580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.720580 (E_RNA)
where:
Base-Base interactions energy: -115.166
where: short stacking energy: -63.551
Base-Backbone interact. energy: -0.403
local terms energy: -55.152198
where:
bonds (distance) C4'-P energy: -5.803
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -8.644
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: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -87.133778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.133778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.133778 (E_RNA)
where:
Base-Base interactions energy: -38.006
where: short stacking energy: -22.595
Base-Backbone interact. energy: -0.362
local terms energy: -48.766250
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: 2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -229.571326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.571326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.571326 (E_RNA)
where:
Base-Base interactions energy: -148.803
where: short stacking energy: -81.516
Base-Backbone interact. energy: 0.486
local terms energy: -81.254455
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -220.598070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.598070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.598070 (E_RNA)
where:
Base-Base interactions energy: -148.515
where: short stacking energy: -75.779
Base-Backbone interact. energy: -0.315
local terms energy: -71.767876
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -17.033
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: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -232.353185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.353185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.353185 (E_RNA)
where:
Base-Base interactions energy: -154.324
where: short stacking energy: -74.406
Base-Backbone interact. energy: -0.024
local terms energy: -78.005408
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -11.613
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: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -198.982045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.982045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.982045 (E_RNA)
where:
Base-Base interactions energy: -132.535
where: short stacking energy: -68.749
Base-Backbone interact. energy: -0.756
local terms energy: -65.691204
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -6.268
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -201.153542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.153542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.153542 (E_RNA)
where:
Base-Base interactions energy: -136.763
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.599
local terms energy: -63.790894
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -8.842
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: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -172.096989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.096989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.096989 (E_RNA)
where:
Base-Base interactions energy: -103.376
where: short stacking energy: -53.735
Base-Backbone interact. energy: -0.836
local terms energy: -67.884827
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -175.765450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.765450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.765450 (E_RNA)
where:
Base-Base interactions energy: -107.061
where: short stacking energy: -54.880
Base-Backbone interact. energy: -0.813
local terms energy: -67.891164
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -12.106
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: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -166.654326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.654326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.654326 (E_RNA)
where:
Base-Base interactions energy: -103.325
where: short stacking energy: -50.192
Base-Backbone interact. energy: -0.065
local terms energy: -63.264809
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -10.987
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: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -165.873259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.873259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.873259 (E_RNA)
where:
Base-Base interactions energy: -101.171
where: short stacking energy: -47.974
Base-Backbone interact. energy: -0.119
local terms energy: -64.583692
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -15.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -71.421360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.421360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.421360 (E_RNA)
where:
Base-Base interactions energy: -31.807
where: short stacking energy: -30.773
Base-Backbone interact. energy: -0.054
local terms energy: -39.560297
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -9.652
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: 0.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -237.555372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.555372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.555372 (E_RNA)
where:
Base-Base interactions energy: -157.817
where: short stacking energy: -79.853
Base-Backbone interact. energy: -0.001
local terms energy: -79.737126
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -223.722394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.722394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.722394 (E_RNA)
where:
Base-Base interactions energy: -146.732
where: short stacking energy: -71.180
Base-Backbone interact. energy: -0.102
local terms energy: -76.888436
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -10.193
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: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -222.412782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.412782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.412782 (E_RNA)
where:
Base-Base interactions energy: -153.380
where: short stacking energy: -81.317
Base-Backbone interact. energy: -0.293
local terms energy: -68.740603
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -8.033
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -21.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -227.247870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.247870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.247870 (E_RNA)
where:
Base-Base interactions energy: -152.418
where: short stacking energy: -71.852
Base-Backbone interact. energy: -0.004
local terms energy: -74.826432
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -22.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -218.845191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.845191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.845191 (E_RNA)
where:
Base-Base interactions energy: -137.273
where: short stacking energy: -66.652
Base-Backbone interact. energy: -2.669
local terms energy: -78.903385
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -11.545
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: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -163.860939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.860939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.860939 (E_RNA)
where:
Base-Base interactions energy: -101.972
where: short stacking energy: -51.523
Base-Backbone interact. energy: -0.176
local terms energy: -61.712530
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -9.855
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: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -177.879257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.879257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.879257 (E_RNA)
where:
Base-Base interactions energy: -110.062
where: short stacking energy: -55.490
Base-Backbone interact. energy: -0.523
local terms energy: -67.294321
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -9.516
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: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -177.563695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.563695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.563695 (E_RNA)
where:
Base-Base interactions energy: -122.906
where: short stacking energy: -57.543
Base-Backbone interact. energy: -0.059
local terms energy: -54.598953
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: -14.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -160.870216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.870216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.870216 (E_RNA)
where:
Base-Base interactions energy: -110.605
where: short stacking energy: -48.086
Base-Backbone interact. energy: -0.084
local terms energy: -50.181149
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -7.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -90.248392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.248392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.248392 (E_RNA)
where:
Base-Base interactions energy: -47.704
where: short stacking energy: -45.529
Base-Backbone interact. energy: -0.164
local terms energy: -42.380329
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -5.727
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: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -237.102104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.102104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.102104 (E_RNA)
where:
Base-Base interactions energy: -159.908
where: short stacking energy: -79.070
Base-Backbone interact. energy: -0.006
local terms energy: -77.188285
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -22.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -230.521588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.521588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.521588 (E_RNA)
where:
Base-Base interactions energy: -150.479
where: short stacking energy: -78.051
Base-Backbone interact. energy: -0.323
local terms energy: -79.719824
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -23.902
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: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -223.396065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.396065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.396065 (E_RNA)
where:
Base-Base interactions energy: -152.463
where: short stacking energy: -78.069
Base-Backbone interact. energy: 1.288
local terms energy: -72.221148
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -20.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -210.358782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.358782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.358782 (E_RNA)
where:
Base-Base interactions energy: -137.431
where: short stacking energy: -61.798
Base-Backbone interact. energy: -0.335
local terms energy: -72.593455
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -215.604911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.604911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.604911 (E_RNA)
where:
Base-Base interactions energy: -145.973
where: short stacking energy: -73.271
Base-Backbone interact. energy: 0.366
local terms energy: -69.997728
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -11.704
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: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -198.636016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.636016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.636016 (E_RNA)
where:
Base-Base interactions energy: -129.080
where: short stacking energy: -61.506
Base-Backbone interact. energy: -0.828
local terms energy: -68.727158
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -170.591658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.591658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.591658 (E_RNA)
where:
Base-Base interactions energy: -115.381
where: short stacking energy: -49.380
Base-Backbone interact. energy: -0.197
local terms energy: -55.014389
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -177.861851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.861851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.861851 (E_RNA)
where:
Base-Base interactions energy: -112.279
where: short stacking energy: -57.214
Base-Backbone interact. energy: -0.400
local terms energy: -65.182819
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -11.027
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -17.880
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: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -162.282990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.282990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.282990 (E_RNA)
where:
Base-Base interactions energy: -98.000
where: short stacking energy: -49.424
Base-Backbone interact. energy: -0.041
local terms energy: -64.241583
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -10.694
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: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -79.623819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.623819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.623819 (E_RNA)
where:
Base-Base interactions energy: -36.664
where: short stacking energy: -31.931
Base-Backbone interact. energy: -1.378
local terms energy: -41.581885
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -5.519
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: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -230.107352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.107352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.107352 (E_RNA)
where:
Base-Base interactions energy: -153.788
where: short stacking energy: -73.944
Base-Backbone interact. energy: -0.019
local terms energy: -76.300261
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -238.370919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.370919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.370919 (E_RNA)
where:
Base-Base interactions energy: -160.214
where: short stacking energy: -85.282
Base-Backbone interact. energy: -0.621
local terms energy: -77.536056
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -216.618486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.618486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.618486 (E_RNA)
where:
Base-Base interactions energy: -142.473
where: short stacking energy: -69.964
Base-Backbone interact. energy: -0.156
local terms energy: -73.989537
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -218.185456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.185456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.185456 (E_RNA)
where:
Base-Base interactions energy: -145.360
where: short stacking energy: -75.063
Base-Backbone interact. energy: -0.178
local terms energy: -72.647169
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -20.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -200.304476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.304476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.304476 (E_RNA)
where:
Base-Base interactions energy: -134.663
where: short stacking energy: -63.804
Base-Backbone interact. energy: -0.313
local terms energy: -65.327496
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -8.110
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: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -209.496856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.496856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.496856 (E_RNA)
where:
Base-Base interactions energy: -149.105
where: short stacking energy: -73.696
Base-Backbone interact. energy: -0.000
local terms energy: -60.391657
where:
bonds (distance) C4'-P energy: -6.612
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -184.713469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.713469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.713469 (E_RNA)
where:
Base-Base interactions energy: -122.019
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.080
local terms energy: -62.614036
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -17.189
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: 8, replica: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -164.408941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.408941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.408941 (E_RNA)
where:
Base-Base interactions energy: -111.981
where: short stacking energy: -49.661
Base-Backbone interact. energy: -1.430
local terms energy: -50.997917
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -99.021113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.021113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.021113 (E_RNA)
where:
Base-Base interactions energy: -49.706
where: short stacking energy: -39.058
Base-Backbone interact. energy: -0.329
local terms energy: -48.986343
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -2.246
tors. eta vs tors. theta energy: -11.501
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: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -170.345659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.345659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.345659 (E_RNA)
where:
Base-Base interactions energy: -106.861
where: short stacking energy: -56.705
Base-Backbone interact. energy: -0.695
local terms energy: -62.789758
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -10.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -229.503158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.503158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.503158 (E_RNA)
where:
Base-Base interactions energy: -155.105
where: short stacking energy: -79.903
Base-Backbone interact. energy: -0.330
local terms energy: -74.067409
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -9.620
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: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -230.065313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.065313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.065313 (E_RNA)
where:
Base-Base interactions energy: -152.784
where: short stacking energy: -80.502
Base-Backbone interact. energy: -0.345
local terms energy: -76.935914
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -232.022088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.022088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.022088 (E_RNA)
where:
Base-Base interactions energy: -152.121
where: short stacking energy: -72.667
Base-Backbone interact. energy: -0.304
local terms energy: -79.597219
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -208.319262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.319262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.319262 (E_RNA)
where:
Base-Base interactions energy: -137.326
where: short stacking energy: -72.450
Base-Backbone interact. energy: -0.098
local terms energy: -70.895213
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -9.190
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: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -187.744384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.744384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.744384 (E_RNA)
where:
Base-Base interactions energy: -120.546
where: short stacking energy: -53.793
Base-Backbone interact. energy: 0.779
local terms energy: -67.977718
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -12.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -178.444820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.444820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.444820 (E_RNA)
where:
Base-Base interactions energy: -118.722
where: short stacking energy: -57.179
Base-Backbone interact. energy: -0.110
local terms energy: -59.612686
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -10.124
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -173.340713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.340713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.340713 (E_RNA)
where:
Base-Base interactions energy: -111.680
where: short stacking energy: -57.174
Base-Backbone interact. energy: -0.646
local terms energy: -61.014258
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -12.751
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: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -106.281550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.281550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.281550 (E_RNA)
where:
Base-Base interactions energy: -49.857
where: short stacking energy: -43.688
Base-Backbone interact. energy: -0.221
local terms energy: -56.203437
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -9.243
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: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -157.622209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.622209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.622209 (E_RNA)
where:
Base-Base interactions energy: -102.274
where: short stacking energy: -50.012
Base-Backbone interact. energy: -0.001
local terms energy: -55.347202
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -8.458
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -178.917971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.917971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.917971 (E_RNA)
where:
Base-Base interactions energy: -109.409
where: short stacking energy: -40.808
Base-Backbone interact. energy: -0.268
local terms energy: -69.241233
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -10.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -232.951724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.951724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.951724 (E_RNA)
where:
Base-Base interactions energy: -155.979
where: short stacking energy: -76.979
Base-Backbone interact. energy: -0.024
local terms energy: -76.948447
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -224.886856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.886856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.886856 (E_RNA)
where:
Base-Base interactions energy: -147.403
where: short stacking energy: -79.157
Base-Backbone interact. energy: -0.689
local terms energy: -76.795577
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -12.950
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: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -227.620128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.620128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.620128 (E_RNA)
where:
Base-Base interactions energy: -148.983
where: short stacking energy: -77.404
Base-Backbone interact. energy: -0.164
local terms energy: -78.472348
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -9.882
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: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -199.981756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.981756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.981756 (E_RNA)
where:
Base-Base interactions energy: -132.122
where: short stacking energy: -59.819
Base-Backbone interact. energy: -0.005
local terms energy: -67.854922
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -8.272
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: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -206.875396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.875396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.875396 (E_RNA)
where:
Base-Base interactions energy: -133.479
where: short stacking energy: -67.905
Base-Backbone interact. energy: -0.040
local terms energy: -73.356508
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -168.190469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.190469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.190469 (E_RNA)
where:
Base-Base interactions energy: -103.507
where: short stacking energy: -55.735
Base-Backbone interact. energy: 1.550
local terms energy: -66.234101
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -179.623690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.623690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.623690 (E_RNA)
where:
Base-Base interactions energy: -113.306
where: short stacking energy: -59.240
Base-Backbone interact. energy: -0.065
local terms energy: -66.252434
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -9.239
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: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -90.766632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.766632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.766632 (E_RNA)
where:
Base-Base interactions energy: -33.093
where: short stacking energy: -31.697
Base-Backbone interact. energy: -0.163
local terms energy: -57.511475
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -195.033096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.033096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.033096 (E_RNA)
where:
Base-Base interactions energy: -126.097
where: short stacking energy: -58.526
Base-Backbone interact. energy: -0.002
local terms energy: -68.934182
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -11.342
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: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -150.607140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.607140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.607140 (E_RNA)
where:
Base-Base interactions energy: -91.173
where: short stacking energy: -47.165
Base-Backbone interact. energy: -0.180
local terms energy: -59.254552
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -222.289783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.289783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.289783 (E_RNA)
where:
Base-Base interactions energy: -144.001
where: short stacking energy: -79.171
Base-Backbone interact. energy: -0.062
local terms energy: -78.226183
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -20.949
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: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -219.342018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.342018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.342018 (E_RNA)
where:
Base-Base interactions energy: -146.498
where: short stacking energy: -73.947
Base-Backbone interact. energy: -0.058
local terms energy: -72.785758
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -229.457792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.457792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.457792 (E_RNA)
where:
Base-Base interactions energy: -147.359
where: short stacking energy: -73.847
Base-Backbone interact. energy: -0.970
local terms energy: -81.128435
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -22.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -207.975522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.975522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.975522 (E_RNA)
where:
Base-Base interactions energy: -142.039
where: short stacking energy: -71.941
Base-Backbone interact. energy: -0.022
local terms energy: -65.914516
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -187.917082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.917082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.917082 (E_RNA)
where:
Base-Base interactions energy: -120.345
where: short stacking energy: -65.181
Base-Backbone interact. energy: -0.088
local terms energy: -67.483337
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -11.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -186.447706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.447706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.447706 (E_RNA)
where:
Base-Base interactions energy: -112.116
where: short stacking energy: -58.584
Base-Backbone interact. energy: -0.295
local terms energy: -74.036993
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -170.128387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.128387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.128387 (E_RNA)
where:
Base-Base interactions energy: -106.215
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.226
local terms energy: -63.688267
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -14.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -167.771033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.771033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.771033 (E_RNA)
where:
Base-Base interactions energy: -101.402
where: short stacking energy: -45.043
Base-Backbone interact. energy: -0.111
local terms energy: -66.258278
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -8.598
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: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -96.106059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.106059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.106059 (E_RNA)
where:
Base-Base interactions energy: -41.711
where: short stacking energy: -41.711
Base-Backbone interact. energy: -0.062
local terms energy: -54.333540
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -4.327
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: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -152.512404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.512404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.512404 (E_RNA)
where:
Base-Base interactions energy: -103.158
where: short stacking energy: -51.796
Base-Backbone interact. energy: -0.176
local terms energy: -49.178481
where:
bonds (distance) C4'-P energy: -7.602
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -230.097213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.097213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.097213 (E_RNA)
where:
Base-Base interactions energy: -148.426
where: short stacking energy: -78.219
Base-Backbone interact. energy: -1.061
local terms energy: -80.609584
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -220.065080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.065080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.065080 (E_RNA)
where:
Base-Base interactions energy: -144.386
where: short stacking energy: -72.571
Base-Backbone interact. energy: -0.025
local terms energy: -75.653738
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -18.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -222.628413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.628413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.628413 (E_RNA)
where:
Base-Base interactions energy: -145.541
where: short stacking energy: -79.459
Base-Backbone interact. energy: -0.000
local terms energy: -77.086892
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -213.700350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.700350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.700350 (E_RNA)
where:
Base-Base interactions energy: -146.331
where: short stacking energy: -72.311
Base-Backbone interact. energy: -0.124
local terms energy: -67.245876
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -18.410
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: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -192.311936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.311936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.311936 (E_RNA)
where:
Base-Base interactions energy: -121.654
where: short stacking energy: -66.977
Base-Backbone interact. energy: -0.100
local terms energy: -70.557788
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -182.382289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.382289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.382289 (E_RNA)
where:
Base-Base interactions energy: -117.784
where: short stacking energy: -64.104
Base-Backbone interact. energy: -0.056
local terms energy: -64.542038
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -14.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -183.015595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.015595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.015595 (E_RNA)
where:
Base-Base interactions energy: -118.072
where: short stacking energy: -56.678
Base-Backbone interact. energy: 0.947
local terms energy: -65.890373
where:
bonds (distance) C4'-P energy: -9.001
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -11.700
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: 8, replica: 5
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -173.914836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.914836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.914836 (E_RNA)
where:
Base-Base interactions energy: -119.293
where: short stacking energy: -62.475
Base-Backbone interact. energy: -0.001
local terms energy: -54.620568
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -161.386361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.386361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.386361 (E_RNA)
where:
Base-Base interactions energy: -101.870
where: short stacking energy: -53.607
Base-Backbone interact. energy: -0.095
local terms energy: -59.420695
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -10.284
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: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -79.080127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.080127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.080127 (E_RNA)
where:
Base-Base interactions energy: -31.976
where: short stacking energy: -31.976
Base-Backbone interact. energy: 0.834
local terms energy: -47.938032
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -9.206
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -231.243679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.243679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.243679 (E_RNA)
where:
Base-Base interactions energy: -153.155
where: short stacking energy: -83.352
Base-Backbone interact. energy: -0.799
local terms energy: -77.289736
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -21.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -232.987261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.987261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.987261 (E_RNA)
where:
Base-Base interactions energy: -156.527
where: short stacking energy: -82.603
Base-Backbone interact. energy: -0.004
local terms energy: -76.455728
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -21.208
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: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -222.293313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.293313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.293313 (E_RNA)
where:
Base-Base interactions energy: -145.935
where: short stacking energy: -75.650
Base-Backbone interact. energy: -0.143
local terms energy: -76.214708
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -22.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -207.022147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.022147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.022147 (E_RNA)
where:
Base-Base interactions energy: -129.606
where: short stacking energy: -65.459
Base-Backbone interact. energy: 0.543
local terms energy: -77.959122
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -217.294369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.294369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.294369 (E_RNA)
where:
Base-Base interactions energy: -137.757
where: short stacking energy: -69.982
Base-Backbone interact. energy: -0.699
local terms energy: -78.838092
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -21.347
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: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -184.684312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.684312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.684312 (E_RNA)
where:
Base-Base interactions energy: -118.781
where: short stacking energy: -57.635
Base-Backbone interact. energy: -0.015
local terms energy: -65.888079
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -10.038
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -175.335348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.335348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.335348 (E_RNA)
where:
Base-Base interactions energy: -113.131
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.000
local terms energy: -62.204220
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -11.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -179.133974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.133974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.133974 (E_RNA)
where:
Base-Base interactions energy: -113.292
where: short stacking energy: -55.337
Base-Backbone interact. energy: -0.049
local terms energy: -65.792776
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -10.326
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: 9, replica: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -168.871704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.871704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.871704 (E_RNA)
where:
Base-Base interactions energy: -113.341
where: short stacking energy: -57.225
Base-Backbone interact. energy: 1.152
local terms energy: -56.681970
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -7.100
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -92.273048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.273048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.273048 (E_RNA)
where:
Base-Base interactions energy: -43.498
where: short stacking energy: -37.639
Base-Backbone interact. energy: -0.110
local terms energy: -48.665011
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -9.227
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -5.688
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: 1, replica: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -236.588770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.588770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.588770 (E_RNA)
where:
Base-Base interactions energy: -156.978
where: short stacking energy: -83.969
Base-Backbone interact. energy: 0.017
local terms energy: -79.627599
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -20.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -219.109430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.109430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.109430 (E_RNA)
where:
Base-Base interactions energy: -149.531
where: short stacking energy: -77.977
Base-Backbone interact. energy: -0.370
local terms energy: -69.208771
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -20.527
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: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -224.488229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.488229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.488229 (E_RNA)
where:
Base-Base interactions energy: -154.114
where: short stacking energy: -75.477
Base-Backbone interact. energy: -0.001
local terms energy: -70.374133
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -21.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -214.983320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.983320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.983320 (E_RNA)
where:
Base-Base interactions energy: -143.373
where: short stacking energy: -74.695
Base-Backbone interact. energy: -0.000
local terms energy: -71.609809
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -19.870
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: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -210.947001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.947001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.947001 (E_RNA)
where:
Base-Base interactions energy: -136.041
where: short stacking energy: -71.615
Base-Backbone interact. energy: -0.003
local terms energy: -74.903471
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -13.787
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: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -198.086989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.086989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.086989 (E_RNA)
where:
Base-Base interactions energy: -134.621
where: short stacking energy: -67.990
Base-Backbone interact. energy: 0.751
local terms energy: -64.217452
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -2.511
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -167.163862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.163862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.163862 (E_RNA)
where:
Base-Base interactions energy: -107.008
where: short stacking energy: -54.577
Base-Backbone interact. energy: -0.925
local terms energy: -59.230572
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -8.994
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -12.461
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: 428
Temperature: 1.250000
Total energy: -168.987584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.987584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.987584 (E_RNA)
where:
Base-Base interactions energy: -110.923
where: short stacking energy: -60.265
Base-Backbone interact. energy: -0.118
local terms energy: -57.947041
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -161.839539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.839539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.839539 (E_RNA)
where:
Base-Base interactions energy: -100.941
where: short stacking energy: -47.747
Base-Backbone interact. energy: -0.002
local terms energy: -60.896382
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -102.179707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.179707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.179707 (E_RNA)
where:
Base-Base interactions energy: -57.158
where: short stacking energy: -44.482
Base-Backbone interact. energy: -0.178
local terms energy: -44.843369
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -240.402984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.402984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.402984 (E_RNA)
where:
Base-Base interactions energy: -160.273
where: short stacking energy: -81.799
Base-Backbone interact. energy: -0.000
local terms energy: -80.129870
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -235.506307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.506307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.506307 (E_RNA)
where:
Base-Base interactions energy: -159.073
where: short stacking energy: -84.778
Base-Backbone interact. energy: -0.291
local terms energy: -76.142115
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -20.896
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: 429
Temperature: 1.000000
Total energy: -217.590944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.590944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.590944 (E_RNA)
where:
Base-Base interactions energy: -144.009
where: short stacking energy: -72.544
Base-Backbone interact. energy: -0.077
local terms energy: -73.504546
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -21.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -206.992647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.992647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.992647 (E_RNA)
where:
Base-Base interactions energy: -140.805
where: short stacking energy: -63.608
Base-Backbone interact. energy: -0.022
local terms energy: -66.165671
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -3.321
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -206.270481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.270481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.270481 (E_RNA)
where:
Base-Base interactions energy: -134.910
where: short stacking energy: -63.990
Base-Backbone interact. energy: -0.028
local terms energy: -71.332830
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -20.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -164.878146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.878146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.878146 (E_RNA)
where:
Base-Base interactions energy: -99.117
where: short stacking energy: -50.530
Base-Backbone interact. energy: 0.979
local terms energy: -66.739757
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -7.508
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: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -189.339583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.339583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.339583 (E_RNA)
where:
Base-Base interactions energy: -123.202
where: short stacking energy: -60.367
Base-Backbone interact. energy: -0.002
local terms energy: -66.134763
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -16.436
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: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -181.311948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.311948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.311948 (E_RNA)
where:
Base-Base interactions energy: -116.441
where: short stacking energy: -67.271
Base-Backbone interact. energy: -1.191
local terms energy: -63.679858
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -15.070
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: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -161.980102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.980102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.980102 (E_RNA)
where:
Base-Base interactions energy: -102.084
where: short stacking energy: -55.145
Base-Backbone interact. energy: -0.188
local terms energy: -59.708384
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -14.885
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: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -90.645663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.645663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.645663 (E_RNA)
where:
Base-Base interactions energy: -41.108
where: short stacking energy: -37.742
Base-Backbone interact. energy: 1.895
local terms energy: -51.432618
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -236.653643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.653643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.653643 (E_RNA)
where:
Base-Base interactions energy: -160.892
where: short stacking energy: -77.757
Base-Backbone interact. energy: -0.000
local terms energy: -75.761657
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -22.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -235.202751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.202751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.202751 (E_RNA)
where:
Base-Base interactions energy: -156.479
where: short stacking energy: -75.424
Base-Backbone interact. energy: -0.000
local terms energy: -78.723654
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -21.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -223.483728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.483728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.483728 (E_RNA)
where:
Base-Base interactions energy: -152.786
where: short stacking energy: -79.814
Base-Backbone interact. energy: -0.500
local terms energy: -70.197188
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -20.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -214.123033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.123033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.123033 (E_RNA)
where:
Base-Base interactions energy: -140.713
where: short stacking energy: -68.883
Base-Backbone interact. energy: -0.216
local terms energy: -73.193618
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -212.112442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.112442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.112442 (E_RNA)
where:
Base-Base interactions energy: -145.429
where: short stacking energy: -71.187
Base-Backbone interact. energy: 3.528
local terms energy: -70.210924
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -5.974
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: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -200.621168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.621168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.621168 (E_RNA)
where:
Base-Base interactions energy: -126.237
where: short stacking energy: -62.010
Base-Backbone interact. energy: -0.002
local terms energy: -74.382496
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -17.378
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: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -165.468739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.468739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.468739 (E_RNA)
where:
Base-Base interactions energy: -101.264
where: short stacking energy: -55.736
Base-Backbone interact. energy: 1.554
local terms energy: -65.758578
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -12.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -181.417079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.417079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.417079 (E_RNA)
where:
Base-Base interactions energy: -116.199
where: short stacking energy: -64.041
Base-Backbone interact. energy: -0.003
local terms energy: -65.214439
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -12.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -157.565564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.565564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.565564 (E_RNA)
where:
Base-Base interactions energy: -107.740
where: short stacking energy: -48.676
Base-Backbone interact. energy: -0.139
local terms energy: -49.685987
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -6.714
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -11.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -89.467134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.467134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.467134 (E_RNA)
where:
Base-Base interactions energy: -35.280
where: short stacking energy: -35.280
Base-Backbone interact. energy: -0.096
local terms energy: -54.091068
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -5.819
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: 1, replica: 8
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -237.877948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.877948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.877948 (E_RNA)
where:
Base-Base interactions energy: -156.945
where: short stacking energy: -78.686
Base-Backbone interact. energy: -0.020
local terms energy: -80.912155
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -20.936
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: 2, replica: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -227.852120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.852120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.852120 (E_RNA)
where:
Base-Base interactions energy: -152.153
where: short stacking energy: -73.364
Base-Backbone interact. energy: -0.461
local terms energy: -75.237775
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -6.412
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: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -222.860558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.860558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.860558 (E_RNA)
where:
Base-Base interactions energy: -145.398
where: short stacking energy: -71.192
Base-Backbone interact. energy: -0.266
local terms energy: -77.197207
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -205.391823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.391823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.391823 (E_RNA)
where:
Base-Base interactions energy: -132.291
where: short stacking energy: -63.679
Base-Backbone interact. energy: -0.331
local terms energy: -72.769161
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -18.026
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: 5, replica: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -204.147436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.147436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.147436 (E_RNA)
where:
Base-Base interactions energy: -133.632
where: short stacking energy: -64.944
Base-Backbone interact. energy: -0.272
local terms energy: -70.242499
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.720
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: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -170.797916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.797916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.797916 (E_RNA)
where:
Base-Base interactions energy: -103.611
where: short stacking energy: -55.991
Base-Backbone interact. energy: 0.039
local terms energy: -67.226090
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -159.219200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.219200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.219200 (E_RNA)
where:
Base-Base interactions energy: -97.657
where: short stacking energy: -43.335
Base-Backbone interact. energy: 0.236
local terms energy: -61.797634
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -11.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -165.699868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.699868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.699868 (E_RNA)
where:
Base-Base interactions energy: -100.776
where: short stacking energy: -46.410
Base-Backbone interact. energy: -0.070
local terms energy: -64.853171
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -11.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -168.205564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.205564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.205564 (E_RNA)
where:
Base-Base interactions energy: -108.126
where: short stacking energy: -55.214
Base-Backbone interact. energy: 1.016
local terms energy: -61.095271
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -8.562
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -11.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -84.740548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.740548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.740548 (E_RNA)
where:
Base-Base interactions energy: -38.596
where: short stacking energy: -28.838
Base-Backbone interact. energy: -0.168
local terms energy: -45.976682
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -5.159
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: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -240.804060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.804060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.804060 (E_RNA)
where:
Base-Base interactions energy: -159.849
where: short stacking energy: -82.868
Base-Backbone interact. energy: -0.238
local terms energy: -80.716389
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -229.221213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.221213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.221213 (E_RNA)
where:
Base-Base interactions energy: -151.397
where: short stacking energy: -72.674
Base-Backbone interact. energy: -0.123
local terms energy: -77.701818
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -20.203
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: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -223.746046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.746046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.746046 (E_RNA)
where:
Base-Base interactions energy: -149.085
where: short stacking energy: -73.998
Base-Backbone interact. energy: -0.098
local terms energy: -74.562612
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -18.542
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: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -195.214528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.214528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.214528 (E_RNA)
where:
Base-Base interactions energy: -129.769
where: short stacking energy: -66.154
Base-Backbone interact. energy: -0.136
local terms energy: -65.309980
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -12.631
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: 5, replica: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -197.974568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.974568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.974568 (E_RNA)
where:
Base-Base interactions energy: -130.972
where: short stacking energy: -69.664
Base-Backbone interact. energy: -1.539
local terms energy: -65.463779
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -8.733
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: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -177.465589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.465589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.465589 (E_RNA)
where:
Base-Base interactions energy: -113.297
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.048
local terms energy: -64.121129
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -175.461977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.461977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.461977 (E_RNA)
where:
Base-Base interactions energy: -110.982
where: short stacking energy: -55.624
Base-Backbone interact. energy: -0.058
local terms energy: -64.421798
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -13.644
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: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -158.994778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.994778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.994778 (E_RNA)
where:
Base-Base interactions energy: -96.318
where: short stacking energy: -47.466
Base-Backbone interact. energy: -0.192
local terms energy: -62.485756
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -11.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -159.784207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.784207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.784207 (E_RNA)
where:
Base-Base interactions energy: -106.394
where: short stacking energy: -46.760
Base-Backbone interact. energy: -0.127
local terms energy: -53.262937
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -109.154343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.154343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.154343 (E_RNA)
where:
Base-Base interactions energy: -50.435
where: short stacking energy: -44.672
Base-Backbone interact. energy: -0.367
local terms energy: -58.351881
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -5.557
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: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -235.491506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.491506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.491506 (E_RNA)
where:
Base-Base interactions energy: -158.592
where: short stacking energy: -77.574
Base-Backbone interact. energy: -0.578
local terms energy: -76.321666
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -21.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -222.580399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.580399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.580399 (E_RNA)
where:
Base-Base interactions energy: -141.865
where: short stacking energy: -69.659
Base-Backbone interact. energy: -0.002
local terms energy: -80.713827
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -214.540559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.540559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.540559 (E_RNA)
where:
Base-Base interactions energy: -143.781
where: short stacking energy: -67.196
Base-Backbone interact. energy: -0.014
local terms energy: -70.746155
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -211.535147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.535147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.535147 (E_RNA)
where:
Base-Base interactions energy: -141.125
where: short stacking energy: -71.455
Base-Backbone interact. energy: -0.004
local terms energy: -70.406640
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -15.963
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: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -185.743966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.743966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.743966 (E_RNA)
where:
Base-Base interactions energy: -124.274
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.297
local terms energy: -61.172643
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -8.472
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -174.180105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.180105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.180105 (E_RNA)
where:
Base-Base interactions energy: -113.204
where: short stacking energy: -47.032
Base-Backbone interact. energy: -0.307
local terms energy: -60.668447
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -8.121
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: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -170.154248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.154248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.154248 (E_RNA)
where:
Base-Base interactions energy: -112.370
where: short stacking energy: -61.875
Base-Backbone interact. energy: -0.180
local terms energy: -57.604878
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -10.106
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: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -185.361522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.361522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.361522 (E_RNA)
where:
Base-Base interactions energy: -117.900
where: short stacking energy: -58.718
Base-Backbone interact. energy: -0.089
local terms energy: -67.371782
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -144.542262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.542262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.542262 (E_RNA)
where:
Base-Base interactions energy: -93.856
where: short stacking energy: -43.477
Base-Backbone interact. energy: 1.459
local terms energy: -52.145832
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -8.087
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: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -78.083858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.083858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.083858 (E_RNA)
where:
Base-Base interactions energy: -35.252
where: short stacking energy: -35.252
Base-Backbone interact. energy: -0.111
local terms energy: -42.720710
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: 0.800
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: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -231.497520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.497520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.497520 (E_RNA)
where:
Base-Base interactions energy: -152.848
where: short stacking energy: -75.972
Base-Backbone interact. energy: -0.030
local terms energy: -78.619725
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -232.260485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.260485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.260485 (E_RNA)
where:
Base-Base interactions energy: -156.065
where: short stacking energy: -78.102
Base-Backbone interact. energy: -0.002
local terms energy: -76.194239
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -13.065
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: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -221.661409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.661409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.661409 (E_RNA)
where:
Base-Base interactions energy: -147.075
where: short stacking energy: -78.684
Base-Backbone interact. energy: -0.648
local terms energy: -73.938010
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -203.498776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.498776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.498776 (E_RNA)
where:
Base-Base interactions energy: -129.365
where: short stacking energy: -60.650
Base-Backbone interact. energy: -0.068
local terms energy: -74.065199
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -16.360
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: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -186.596044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.596044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.596044 (E_RNA)
where:
Base-Base interactions energy: -124.970
where: short stacking energy: -63.267
Base-Backbone interact. energy: -0.007
local terms energy: -61.618652
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -12.581
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: 6, replica: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -194.905924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.905924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.905924 (E_RNA)
where:
Base-Base interactions energy: -125.117
where: short stacking energy: -69.608
Base-Backbone interact. energy: -0.302
local terms energy: -69.486382
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -192.785343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.785343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.785343 (E_RNA)
where:
Base-Base interactions energy: -125.795
where: short stacking energy: -57.924
Base-Backbone interact. energy: -0.853
local terms energy: -66.137286
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -179.000311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.000311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.000311 (E_RNA)
where:
Base-Base interactions energy: -121.709
where: short stacking energy: -67.905
Base-Backbone interact. energy: 1.322
local terms energy: -58.613517
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -172.463374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.463374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.463374 (E_RNA)
where:
Base-Base interactions energy: -112.313
where: short stacking energy: -49.053
Base-Backbone interact. energy: -0.011
local terms energy: -60.140072
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -6.147
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -88.420279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.420279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.420279 (E_RNA)
where:
Base-Base interactions energy: -42.263
where: short stacking energy: -42.263
Base-Backbone interact. energy: -0.166
local terms energy: -45.990884
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -8.238
flat angles P-C4'-P energy: -8.188
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: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -230.732553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.732553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.732553 (E_RNA)
where:
Base-Base interactions energy: -153.705
where: short stacking energy: -81.979
Base-Backbone interact. energy: 0.261
local terms energy: -77.288719
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -224.125147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.125147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.125147 (E_RNA)
where:
Base-Base interactions energy: -147.928
where: short stacking energy: -71.817
Base-Backbone interact. energy: -0.462
local terms energy: -75.734545
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -228.808773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.808773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.808773 (E_RNA)
where:
Base-Base interactions energy: -152.122
where: short stacking energy: -74.853
Base-Backbone interact. energy: -0.081
local terms energy: -76.606108
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -6.879
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: 4, replica: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -186.602215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.602215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.602215 (E_RNA)
where:
Base-Base interactions energy: -118.516
where: short stacking energy: -64.459
Base-Backbone interact. energy: -0.201
local terms energy: -67.885102
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -16.606
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: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -188.124515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.124515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.124515 (E_RNA)
where:
Base-Base interactions energy: -123.489
where: short stacking energy: -62.863
Base-Backbone interact. energy: -0.015
local terms energy: -64.619969
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -7.470
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: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -183.890751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.890751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.890751 (E_RNA)
where:
Base-Base interactions energy: -112.355
where: short stacking energy: -54.323
Base-Backbone interact. energy: -0.758
local terms energy: -70.777333
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -210.108925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.108925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.108925 (E_RNA)
where:
Base-Base interactions energy: -145.446
where: short stacking energy: -71.419
Base-Backbone interact. energy: -0.441
local terms energy: -64.221784
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -18.968
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: 435
Temperature: 1.250000
Total energy: -170.403130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.403130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.403130 (E_RNA)
where:
Base-Base interactions energy: -107.132
where: short stacking energy: -54.780
Base-Backbone interact. energy: -0.842
local terms energy: -62.428453
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -11.896
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: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -161.684005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.684005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.684005 (E_RNA)
where:
Base-Base interactions energy: -107.889
where: short stacking energy: -52.016
Base-Backbone interact. energy: -0.092
local terms energy: -53.703549
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -8.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -85.057676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.057676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.057676 (E_RNA)
where:
Base-Base interactions energy: -33.653
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.098
local terms energy: -51.306583
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -8.003
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: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -226.429779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.429779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.429779 (E_RNA)
where:
Base-Base interactions energy: -140.559
where: short stacking energy: -75.761
Base-Backbone interact. energy: -1.019
local terms energy: -84.851514
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -13.863
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: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -228.286603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.286603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.286603 (E_RNA)
where:
Base-Base interactions energy: -154.456
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.321
local terms energy: -73.509689
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -20.517
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: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -228.916383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.916383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.916383 (E_RNA)
where:
Base-Base interactions energy: -157.285
where: short stacking energy: -83.531
Base-Backbone interact. energy: -0.000
local terms energy: -71.631122
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -189.752738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.752738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.752738 (E_RNA)
where:
Base-Base interactions energy: -124.854
where: short stacking energy: -65.416
Base-Backbone interact. energy: -0.032
local terms energy: -64.866941
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: -17.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -188.172944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.172944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.172944 (E_RNA)
where:
Base-Base interactions energy: -125.997
where: short stacking energy: -52.861
Base-Backbone interact. energy: 0.695
local terms energy: -62.870806
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -4.743
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: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -195.073841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.073841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.073841 (E_RNA)
where:
Base-Base interactions energy: -122.633
where: short stacking energy: -64.946
Base-Backbone interact. energy: -0.002
local terms energy: -72.438903
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -165.937819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.937819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.937819 (E_RNA)
where:
Base-Base interactions energy: -102.169
where: short stacking energy: -57.150
Base-Backbone interact. energy: -0.124
local terms energy: -63.645654
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -10.384
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: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -169.308660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.308660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.308660 (E_RNA)
where:
Base-Base interactions energy: -104.154
where: short stacking energy: -55.873
Base-Backbone interact. energy: 0.142
local terms energy: -65.296481
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -162.188391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.188391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.188391 (E_RNA)
where:
Base-Base interactions energy: -104.972
where: short stacking energy: -52.884
Base-Backbone interact. energy: -0.396
local terms energy: -56.821132
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -9.871
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -93.512923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.512923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.512923 (E_RNA)
where:
Base-Base interactions energy: -33.493
where: short stacking energy: -29.108
Base-Backbone interact. energy: -0.073
local terms energy: -59.946481
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -7.548
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: 437
Temperature: 0.900000
Total energy: -225.989484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.989484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.989484 (E_RNA)
where:
Base-Base interactions energy: -149.697
where: short stacking energy: -74.374
Base-Backbone interact. energy: -0.019
local terms energy: -76.273105
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -16.078
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: 8
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -234.188170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.188170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.188170 (E_RNA)
where:
Base-Base interactions energy: -154.830
where: short stacking energy: -80.035
Base-Backbone interact. energy: -0.747
local terms energy: -78.610876
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -226.866219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.866219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.866219 (E_RNA)
where:
Base-Base interactions energy: -150.066
where: short stacking energy: -72.593
Base-Backbone interact. energy: -1.018
local terms energy: -75.782222
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -192.169636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.169636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.169636 (E_RNA)
where:
Base-Base interactions energy: -119.191
where: short stacking energy: -62.954
Base-Backbone interact. energy: -0.046
local terms energy: -72.932884
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -13.066
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: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -187.027443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.027443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.027443 (E_RNA)
where:
Base-Base interactions energy: -116.977
where: short stacking energy: -60.453
Base-Backbone interact. energy: -0.819
local terms energy: -69.231617
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -3.687
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -176.400017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.400017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.400017 (E_RNA)
where:
Base-Base interactions energy: -110.764
where: short stacking energy: -61.172
Base-Backbone interact. energy: -1.134
local terms energy: -64.501749
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -7.750
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -14.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -167.680612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.680612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.680612 (E_RNA)
where:
Base-Base interactions energy: -105.713
where: short stacking energy: -51.064
Base-Backbone interact. energy: -0.441
local terms energy: -61.527362
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -163.063863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.063863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.063863 (E_RNA)
where:
Base-Base interactions energy: -100.974
where: short stacking energy: -46.907
Base-Backbone interact. energy: -0.345
local terms energy: -61.744611
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -10.420
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -9.555
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: 437
Temperature: 1.300000
Total energy: -162.520956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.520956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.520956 (E_RNA)
where:
Base-Base interactions energy: -102.677
where: short stacking energy: -51.969
Base-Backbone interact. energy: -0.314
local terms energy: -59.529745
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -10.101
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: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -89.288273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.288273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.288273 (E_RNA)
where:
Base-Base interactions energy: -37.242
where: short stacking energy: -30.749
Base-Backbone interact. energy: 2.274
local terms energy: -54.320413
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -235.446935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.446935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.446935 (E_RNA)
where:
Base-Base interactions energy: -153.643
where: short stacking energy: -78.688
Base-Backbone interact. energy: -0.000
local terms energy: -81.803446
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -226.959380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.959380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.959380 (E_RNA)
where:
Base-Base interactions energy: -152.245
where: short stacking energy: -82.315
Base-Backbone interact. energy: 0.130
local terms energy: -74.844125
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -21.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -218.130693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.130693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.130693 (E_RNA)
where:
Base-Base interactions energy: -138.562
where: short stacking energy: -72.607
Base-Backbone interact. energy: -0.002
local terms energy: -79.567063
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -203.193311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.193311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.193311 (E_RNA)
where:
Base-Base interactions energy: -137.834
where: short stacking energy: -68.309
Base-Backbone interact. energy: -0.026
local terms energy: -65.333509
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -176.061881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.061881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.061881 (E_RNA)
where:
Base-Base interactions energy: -116.435
where: short stacking energy: -63.520
Base-Backbone interact. energy: 0.005
local terms energy: -59.631366
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -188.551270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.551270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.551270 (E_RNA)
where:
Base-Base interactions energy: -118.555
where: short stacking energy: -56.103
Base-Backbone interact. energy: 0.176
local terms energy: -70.172197
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -177.713727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.713727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.713727 (E_RNA)
where:
Base-Base interactions energy: -115.086
where: short stacking energy: -57.500
Base-Backbone interact. energy: -0.024
local terms energy: -62.603943
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -12.015
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: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -178.593040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.593040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.593040 (E_RNA)
where:
Base-Base interactions energy: -114.247
where: short stacking energy: -54.443
Base-Backbone interact. energy: -0.085
local terms energy: -64.260423
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -11.944
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: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -165.593371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.593371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.593371 (E_RNA)
where:
Base-Base interactions energy: -109.010
where: short stacking energy: -50.917
Base-Backbone interact. energy: -0.423
local terms energy: -56.159924
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -10.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -81.829344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.829344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.829344 (E_RNA)
where:
Base-Base interactions energy: -38.177
where: short stacking energy: -37.529
Base-Backbone interact. energy: 0.995
local terms energy: -44.646713
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -4.305
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -238.403505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.403505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.403505 (E_RNA)
where:
Base-Base interactions energy: -160.131
where: short stacking energy: -81.373
Base-Backbone interact. energy: -0.595
local terms energy: -77.677181
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -229.724983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.724983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.724983 (E_RNA)
where:
Base-Base interactions energy: -159.134
where: short stacking energy: -68.185
Base-Backbone interact. energy: -0.409
local terms energy: -70.182322
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -221.589130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.589130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.589130 (E_RNA)
where:
Base-Base interactions energy: -141.769
where: short stacking energy: -80.052
Base-Backbone interact. energy: -0.019
local terms energy: -79.800682
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -20.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -202.489275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.489275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.489275 (E_RNA)
where:
Base-Base interactions energy: -135.258
where: short stacking energy: -65.864
Base-Backbone interact. energy: -0.203
local terms energy: -67.028980
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -4.669
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -195.601655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.601655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.601655 (E_RNA)
where:
Base-Base interactions energy: -135.214
where: short stacking energy: -62.942
Base-Backbone interact. energy: -0.708
local terms energy: -59.680294
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -199.604972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.604972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.604972 (E_RNA)
where:
Base-Base interactions energy: -128.020
where: short stacking energy: -74.335
Base-Backbone interact. energy: -0.303
local terms energy: -71.281503
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -173.927040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.927040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.927040 (E_RNA)
where:
Base-Base interactions energy: -110.297
where: short stacking energy: -58.610
Base-Backbone interact. energy: 0.013
local terms energy: -63.642400
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -149.743903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.743903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.743903 (E_RNA)
where:
Base-Base interactions energy: -94.538
where: short stacking energy: -47.408
Base-Backbone interact. energy: -0.245
local terms energy: -54.960971
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -165.518547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.518547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.518547 (E_RNA)
where:
Base-Base interactions energy: -105.319
where: short stacking energy: -51.953
Base-Backbone interact. energy: -0.255
local terms energy: -59.944791
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -4.206
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: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -93.929030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.929030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.929030 (E_RNA)
where:
Base-Base interactions energy: -46.559
where: short stacking energy: -29.034
Base-Backbone interact. energy: -0.087
local terms energy: -47.282763
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -230.556870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.556870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.556870 (E_RNA)
where:
Base-Base interactions energy: -159.027
where: short stacking energy: -79.630
Base-Backbone interact. energy: -0.354
local terms energy: -71.176372
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -21.825
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: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -235.360924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.360924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.360924 (E_RNA)
where:
Base-Base interactions energy: -151.950
where: short stacking energy: -79.728
Base-Backbone interact. energy: -0.001
local terms energy: -83.409582
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -20.057
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: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -215.786073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.786073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.786073 (E_RNA)
where:
Base-Base interactions energy: -147.295
where: short stacking energy: -77.791
Base-Backbone interact. energy: -0.118
local terms energy: -68.372721
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -191.596582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.596582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.596582 (E_RNA)
where:
Base-Base interactions energy: -130.390
where: short stacking energy: -66.957
Base-Backbone interact. energy: -0.071
local terms energy: -61.135093
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -11.925
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: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -214.048512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.048512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.048512 (E_RNA)
where:
Base-Base interactions energy: -150.639
where: short stacking energy: -69.955
Base-Backbone interact. energy: 1.895
local terms energy: -65.304262
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -170.488851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.488851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.488851 (E_RNA)
where:
Base-Base interactions energy: -109.357
where: short stacking energy: -44.249
Base-Backbone interact. energy: -0.086
local terms energy: -61.045498
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -7.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -180.678078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.678078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.678078 (E_RNA)
where:
Base-Base interactions energy: -111.350
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.516
local terms energy: -68.811839
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -167.609175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.609175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.609175 (E_RNA)
where:
Base-Base interactions energy: -107.378
where: short stacking energy: -47.556
Base-Backbone interact. energy: -0.229
local terms energy: -60.002274
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -178.101163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.101163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.101163 (E_RNA)
where:
Base-Base interactions energy: -117.350
where: short stacking energy: -63.647
Base-Backbone interact. energy: -0.055
local terms energy: -60.696294
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -6.406
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: 10, replica: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -91.148879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.148879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.148879 (E_RNA)
where:
Base-Base interactions energy: -36.203
where: short stacking energy: -27.000
Base-Backbone interact. energy: -1.417
local terms energy: -53.528827
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -234.086815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.086815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.086815 (E_RNA)
where:
Base-Base interactions energy: -157.485
where: short stacking energy: -76.203
Base-Backbone interact. energy: -0.006
local terms energy: -76.596331
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -19.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -227.980747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.980747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.980747 (E_RNA)
where:
Base-Base interactions energy: -152.721
where: short stacking energy: -81.397
Base-Backbone interact. energy: -0.001
local terms energy: -75.257918
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -21.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -225.810678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.810678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.810678 (E_RNA)
where:
Base-Base interactions energy: -156.741
where: short stacking energy: -77.729
Base-Backbone interact. energy: -0.581
local terms energy: -68.488516
where:
bonds (distance) C4'-P energy: -7.738
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -187.645110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.645110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.645110 (E_RNA)
where:
Base-Base interactions energy: -121.866
where: short stacking energy: -68.473
Base-Backbone interact. energy: -0.292
local terms energy: -65.486501
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -16.394
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: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -207.746238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.746238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.746238 (E_RNA)
where:
Base-Base interactions energy: -134.500
where: short stacking energy: -57.920
Base-Backbone interact. energy: -0.752
local terms energy: -72.493988
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -19.057
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: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -199.419373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.419373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.419373 (E_RNA)
where:
Base-Base interactions energy: -130.947
where: short stacking energy: -63.709
Base-Backbone interact. energy: -0.020
local terms energy: -68.452329
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -13.174
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: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -164.098265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.098265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.098265 (E_RNA)
where:
Base-Base interactions energy: -97.779
where: short stacking energy: -50.249
Base-Backbone interact. energy: -0.700
local terms energy: -65.618678
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -6.691
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: 5
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -181.444651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.444651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.444651 (E_RNA)
where:
Base-Base interactions energy: -124.565
where: short stacking energy: -67.213
Base-Backbone interact. energy: -0.050
local terms energy: -56.829996
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -6.869
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -165.212289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.212289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.212289 (E_RNA)
where:
Base-Base interactions energy: -109.363
where: short stacking energy: -49.844
Base-Backbone interact. energy: -0.109
local terms energy: -55.740595
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -81.785175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.785175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.785175 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -32.378
Base-Backbone interact. energy: -0.014
local terms energy: -48.934197
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -5.940
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: 1, replica: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -232.534997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.534997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.534997 (E_RNA)
where:
Base-Base interactions energy: -151.790
where: short stacking energy: -74.825
Base-Backbone interact. energy: -0.723
local terms energy: -80.021933
where:
bonds (distance) C4'-P energy: -9.152
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -227.465629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.465629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.465629 (E_RNA)
where:
Base-Base interactions energy: -151.478
where: short stacking energy: -76.051
Base-Backbone interact. energy: -0.013
local terms energy: -75.974048
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -222.590553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.590553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.590553 (E_RNA)
where:
Base-Base interactions energy: -151.234
where: short stacking energy: -74.772
Base-Backbone interact. energy: -0.045
local terms energy: -71.311342
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -191.488546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.488546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.488546 (E_RNA)
where:
Base-Base interactions energy: -119.959
where: short stacking energy: -65.060
Base-Backbone interact. energy: 1.185
local terms energy: -72.714436
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -11.898
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: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -213.519945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.519945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.519945 (E_RNA)
where:
Base-Base interactions energy: -134.485
where: short stacking energy: -65.927
Base-Backbone interact. energy: -0.398
local terms energy: -78.637403
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -193.879908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.879908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.879908 (E_RNA)
where:
Base-Base interactions energy: -120.975
where: short stacking energy: -53.561
Base-Backbone interact. energy: -1.056
local terms energy: -71.848992
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -10.895
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: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -171.130599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.130599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.130599 (E_RNA)
where:
Base-Base interactions energy: -107.694
where: short stacking energy: -55.061
Base-Backbone interact. energy: -0.008
local terms energy: -63.428594
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -145.495851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.495851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.495851 (E_RNA)
where:
Base-Base interactions energy: -95.151
where: short stacking energy: -52.414
Base-Backbone interact. energy: -0.349
local terms energy: -49.996457
where:
bonds (distance) C4'-P energy: -6.394
bonds (distance) P-C4' energy: -10.202
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -9.424
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: 9, replica: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -180.190350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.190350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.190350 (E_RNA)
where:
Base-Base interactions energy: -116.073
where: short stacking energy: -65.070
Base-Backbone interact. energy: -0.086
local terms energy: -64.031427
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -96.301699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.301699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.301699 (E_RNA)
where:
Base-Base interactions energy: -45.927
where: short stacking energy: -45.927
Base-Backbone interact. energy: -0.033
local terms energy: -50.341863
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -12.141
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: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -219.316540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.316540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.316540 (E_RNA)
where:
Base-Base interactions energy: -141.015
where: short stacking energy: -68.214
Base-Backbone interact. energy: -0.305
local terms energy: -77.996081
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -18.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -224.257882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.257882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.257882 (E_RNA)
where:
Base-Base interactions energy: -148.507
where: short stacking energy: -81.539
Base-Backbone interact. energy: -0.301
local terms energy: -75.449921
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -20.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -214.903885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.903885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.903885 (E_RNA)
where:
Base-Base interactions energy: -141.171
where: short stacking energy: -68.799
Base-Backbone interact. energy: -0.149
local terms energy: -73.584366
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -193.350017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.350017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.350017 (E_RNA)
where:
Base-Base interactions energy: -126.626
where: short stacking energy: -69.082
Base-Backbone interact. energy: -0.063
local terms energy: -66.660968
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -14.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -197.622018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.622018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.622018 (E_RNA)
where:
Base-Base interactions energy: -131.866
where: short stacking energy: -67.028
Base-Backbone interact. energy: -0.107
local terms energy: -65.648473
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -183.379089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.379089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.379089 (E_RNA)
where:
Base-Base interactions energy: -115.569
where: short stacking energy: -51.123
Base-Backbone interact. energy: -0.107
local terms energy: -67.703234
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -166.132798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.132798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.132798 (E_RNA)
where:
Base-Base interactions energy: -107.862
where: short stacking energy: -56.730
Base-Backbone interact. energy: -0.116
local terms energy: -58.155484
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -10.021
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: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -182.360278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.360278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.360278 (E_RNA)
where:
Base-Base interactions energy: -126.078
where: short stacking energy: -68.323
Base-Backbone interact. energy: 0.774
local terms energy: -57.056519
where:
bonds (distance) C4'-P energy: -8.784
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -171.975287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.975287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.975287 (E_RNA)
where:
Base-Base interactions energy: -116.795
where: short stacking energy: -62.033
Base-Backbone interact. energy: 2.619
local terms energy: -57.799433
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -5.640
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: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -82.034266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.034266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.034266 (E_RNA)
where:
Base-Base interactions energy: -27.961
where: short stacking energy: -21.015
Base-Backbone interact. energy: -0.244
local terms energy: -53.829073
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -225.068702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.068702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.068702 (E_RNA)
where:
Base-Base interactions energy: -147.735
where: short stacking energy: -78.110
Base-Backbone interact. energy: -0.283
local terms energy: -77.051385
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -19.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -218.779187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.779187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.779187 (E_RNA)
where:
Base-Base interactions energy: -142.661
where: short stacking energy: -73.717
Base-Backbone interact. energy: -0.037
local terms energy: -76.081625
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -17.837
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: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -195.348214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.348214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.348214 (E_RNA)
where:
Base-Base interactions energy: -123.063
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.641
local terms energy: -71.644217
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -15.215
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: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -192.891960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.891960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.891960 (E_RNA)
where:
Base-Base interactions energy: -122.945
where: short stacking energy: -65.787
Base-Backbone interact. energy: -1.075
local terms energy: -68.871683
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -14.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -208.754684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.754684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.754684 (E_RNA)
where:
Base-Base interactions energy: -143.517
where: short stacking energy: -71.390
Base-Backbone interact. energy: -0.073
local terms energy: -65.164499
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -9.195
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: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -187.387701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.387701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.387701 (E_RNA)
where:
Base-Base interactions energy: -129.078
where: short stacking energy: -59.034
Base-Backbone interact. energy: -0.188
local terms energy: -58.121962
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -12.278
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: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -178.998414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.998414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.998414 (E_RNA)
where:
Base-Base interactions energy: -115.023
where: short stacking energy: -62.202
Base-Backbone interact. energy: -0.055
local terms energy: -63.919906
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -7.768
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -11.575
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: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -178.915252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.915252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.915252 (E_RNA)
where:
Base-Base interactions energy: -116.302
where: short stacking energy: -63.489
Base-Backbone interact. energy: -0.003
local terms energy: -62.610940
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -166.710300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.710300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.710300 (E_RNA)
where:
Base-Base interactions energy: -105.273
where: short stacking energy: -47.103
Base-Backbone interact. energy: 0.010
local terms energy: -61.447703
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -7.370
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: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -78.029777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.029777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.029777 (E_RNA)
where:
Base-Base interactions energy: -31.041
where: short stacking energy: -31.041
Base-Backbone interact. energy: -0.123
local terms energy: -46.866000
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: 1.103
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: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -228.974446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.974446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.974446 (E_RNA)
where:
Base-Base interactions energy: -152.241
where: short stacking energy: -79.489
Base-Backbone interact. energy: -0.001
local terms energy: -76.732259
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -217.254226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.254226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.254226 (E_RNA)
where:
Base-Base interactions energy: -151.345
where: short stacking energy: -68.432
Base-Backbone interact. energy: -0.604
local terms energy: -65.305136
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -4.674
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: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -215.111626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.111626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.111626 (E_RNA)
where:
Base-Base interactions energy: -149.181
where: short stacking energy: -75.455
Base-Backbone interact. energy: -0.280
local terms energy: -65.650480
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -20.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -195.734341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.734341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.734341 (E_RNA)
where:
Base-Base interactions energy: -130.814
where: short stacking energy: -74.022
Base-Backbone interact. energy: -0.627
local terms energy: -64.292427
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -190.206663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.206663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.206663 (E_RNA)
where:
Base-Base interactions energy: -127.719
where: short stacking energy: -53.456
Base-Backbone interact. energy: -0.329
local terms energy: -62.159059
where:
bonds (distance) C4'-P energy: -8.510
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -12.097
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: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -201.516859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.516859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.516859 (E_RNA)
where:
Base-Base interactions energy: -139.912
where: short stacking energy: -62.926
Base-Backbone interact. energy: -0.047
local terms energy: -61.557910
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -200.054207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.054207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.054207 (E_RNA)
where:
Base-Base interactions energy: -134.550
where: short stacking energy: -63.331
Base-Backbone interact. energy: -0.162
local terms energy: -65.342140
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -8.865
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: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -163.431917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.431917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.431917 (E_RNA)
where:
Base-Base interactions energy: -103.680
where: short stacking energy: -56.192
Base-Backbone interact. energy: -0.035
local terms energy: -59.716245
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -8.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -161.268448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.268448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.268448 (E_RNA)
where:
Base-Base interactions energy: -107.671
where: short stacking energy: -42.606
Base-Backbone interact. energy: -0.054
local terms energy: -53.543990
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -8.340
flat angles P-C4'-P energy: -7.154
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: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -85.686057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.686057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.686057 (E_RNA)
where:
Base-Base interactions energy: -45.061
where: short stacking energy: -45.061
Base-Backbone interact. energy: -0.045
local terms energy: -40.579422
where:
bonds (distance) C4'-P energy: -6.770
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -1.884
tors. eta vs tors. theta energy: -4.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -223.036129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.036129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.036129 (E_RNA)
where:
Base-Base interactions energy: -147.770
where: short stacking energy: -71.974
Base-Backbone interact. energy: -0.887
local terms energy: -74.379228
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -215.871440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.871440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871440 (E_RNA)
where:
Base-Base interactions energy: -141.211
where: short stacking energy: -67.077
Base-Backbone interact. energy: -1.722
local terms energy: -72.938208
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -189.658428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.658428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.658428 (E_RNA)
where:
Base-Base interactions energy: -122.735
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.848
local terms energy: -66.075483
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -11.044
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: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -214.790933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.790933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.790933 (E_RNA)
where:
Base-Base interactions energy: -141.151
where: short stacking energy: -68.564
Base-Backbone interact. energy: -0.154
local terms energy: -73.485480
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -18.758
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: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -183.985528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.985528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.985528 (E_RNA)
where:
Base-Base interactions energy: -114.064
where: short stacking energy: -55.365
Base-Backbone interact. energy: -0.404
local terms energy: -69.517983
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -15.867
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: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -179.112752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.112752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.112752 (E_RNA)
where:
Base-Base interactions energy: -117.192
where: short stacking energy: -55.295
Base-Backbone interact. energy: -0.244
local terms energy: -61.676546
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -12.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -175.253904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.253904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.253904 (E_RNA)
where:
Base-Base interactions energy: -112.982
where: short stacking energy: -56.413
Base-Backbone interact. energy: -0.118
local terms energy: -62.153725
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -11.154
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: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -164.304789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.304789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.304789 (E_RNA)
where:
Base-Base interactions energy: -103.366
where: short stacking energy: -52.929
Base-Backbone interact. energy: -0.136
local terms energy: -60.802987
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -12.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -181.142184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.142184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.142184 (E_RNA)
where:
Base-Base interactions energy: -107.815
where: short stacking energy: -58.124
Base-Backbone interact. energy: -0.736
local terms energy: -72.590563
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -104.397592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.397592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.397592 (E_RNA)
where:
Base-Base interactions energy: -53.590
where: short stacking energy: -30.408
Base-Backbone interact. energy: -0.224
local terms energy: -50.584164
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -1.678
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: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -218.316738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.316738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.316738 (E_RNA)
where:
Base-Base interactions energy: -143.609
where: short stacking energy: -65.911
Base-Backbone interact. energy: -0.647
local terms energy: -74.060639
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -208.123831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.123831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.123831 (E_RNA)
where:
Base-Base interactions energy: -135.429
where: short stacking energy: -69.799
Base-Backbone interact. energy: -0.416
local terms energy: -72.279496
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -224.124910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.124910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.124910 (E_RNA)
where:
Base-Base interactions energy: -144.200
where: short stacking energy: -70.924
Base-Backbone interact. energy: -1.754
local terms energy: -78.170860
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -204.330631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.330631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.330631 (E_RNA)
where:
Base-Base interactions energy: -131.813
where: short stacking energy: -65.389
Base-Backbone interact. energy: -0.095
local terms energy: -72.422134
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -193.367976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.367976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.367976 (E_RNA)
where:
Base-Base interactions energy: -119.777
where: short stacking energy: -65.808
Base-Backbone interact. energy: -0.415
local terms energy: -73.175543
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -200.119985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.119985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.119985 (E_RNA)
where:
Base-Base interactions energy: -136.817
where: short stacking energy: -69.930
Base-Backbone interact. energy: -0.018
local terms energy: -63.284637
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -182.308279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.308279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.308279 (E_RNA)
where:
Base-Base interactions energy: -126.508
where: short stacking energy: -56.555
Base-Backbone interact. energy: -0.558
local terms energy: -55.242639
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -195.586444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.586444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.586444 (E_RNA)
where:
Base-Base interactions energy: -124.828
where: short stacking energy: -63.795
Base-Backbone interact. energy: -0.009
local terms energy: -70.749421
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -165.231954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.231954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.231954 (E_RNA)
where:
Base-Base interactions energy: -112.376
where: short stacking energy: -48.659
Base-Backbone interact. energy: -0.424
local terms energy: -52.432213
where:
bonds (distance) C4'-P energy: -5.490
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -11.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -95.588731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.588731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.588731 (E_RNA)
where:
Base-Base interactions energy: -37.810
where: short stacking energy: -36.262
Base-Backbone interact. energy: -0.012
local terms energy: -57.767285
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -220.422905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.422905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.422905 (E_RNA)
where:
Base-Base interactions energy: -146.316
where: short stacking energy: -68.620
Base-Backbone interact. energy: -0.429
local terms energy: -73.678381
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -19.173
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: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -234.294933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.294933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.294933 (E_RNA)
where:
Base-Base interactions energy: -159.545
where: short stacking energy: -70.404
Base-Backbone interact. energy: 1.385
local terms energy: -76.135638
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -17.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -217.330442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.330442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.330442 (E_RNA)
where:
Base-Base interactions energy: -145.746
where: short stacking energy: -74.560
Base-Backbone interact. energy: -0.022
local terms energy: -71.562517
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -203.212125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.212125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.212125 (E_RNA)
where:
Base-Base interactions energy: -134.870
where: short stacking energy: -61.866
Base-Backbone interact. energy: -0.788
local terms energy: -67.553731
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -15.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -184.836482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.836482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.836482 (E_RNA)
where:
Base-Base interactions energy: -123.698
where: short stacking energy: -52.522
Base-Backbone interact. energy: -0.011
local terms energy: -61.126641
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -14.625
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: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -208.822135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.822135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.822135 (E_RNA)
where:
Base-Base interactions energy: -142.060
where: short stacking energy: -75.452
Base-Backbone interact. energy: -0.282
local terms energy: -66.480146
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -186.574228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.574228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.574228 (E_RNA)
where:
Base-Base interactions energy: -126.249
where: short stacking energy: -57.652
Base-Backbone interact. energy: -0.096
local terms energy: -60.229132
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -180.245750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.245750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.245750 (E_RNA)
where:
Base-Base interactions energy: -122.386
where: short stacking energy: -56.717
Base-Backbone interact. energy: -0.004
local terms energy: -57.856201
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -11.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -158.627095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.627095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.627095 (E_RNA)
where:
Base-Base interactions energy: -109.478
where: short stacking energy: -59.507
Base-Backbone interact. energy: -0.697
local terms energy: -48.451714
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -8.837
flat angles P-C4'-P energy: -2.948
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -86.818274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.818274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.818274 (E_RNA)
where:
Base-Base interactions energy: -39.205
where: short stacking energy: -39.205
Base-Backbone interact. energy: -0.205
local terms energy: -47.408689
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -6.725
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -4.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -216.741694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.741694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.741694 (E_RNA)
where:
Base-Base interactions energy: -141.908
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.146
local terms energy: -74.688071
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -17.090
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: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -237.569299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.569299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.569299 (E_RNA)
where:
Base-Base interactions energy: -155.513
where: short stacking energy: -82.087
Base-Backbone interact. energy: -0.140
local terms energy: -81.915919
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -224.083885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.083885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.083885 (E_RNA)
where:
Base-Base interactions energy: -147.925
where: short stacking energy: -75.327
Base-Backbone interact. energy: -1.345
local terms energy: -74.813025
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -21.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -212.229629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.229629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.229629 (E_RNA)
where:
Base-Base interactions energy: -139.986
where: short stacking energy: -68.696
Base-Backbone interact. energy: -0.001
local terms energy: -72.242985
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -11.278
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: 5, replica: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -201.362746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.362746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.362746 (E_RNA)
where:
Base-Base interactions energy: -129.946
where: short stacking energy: -57.132
Base-Backbone interact. energy: 0.804
local terms energy: -72.220284
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -16.605
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: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -192.587118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.587118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.587118 (E_RNA)
where:
Base-Base interactions energy: -127.168
where: short stacking energy: -59.837
Base-Backbone interact. energy: -0.091
local terms energy: -65.327451
where:
bonds (distance) C4'-P energy: -8.464
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -12.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -207.441281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.441281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.441281 (E_RNA)
where:
Base-Base interactions energy: -138.803
where: short stacking energy: -61.676
Base-Backbone interact. energy: -0.001
local terms energy: -68.636819
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -18.578
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: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -176.548859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.548859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.548859 (E_RNA)
where:
Base-Base interactions energy: -124.823
where: short stacking energy: -67.074
Base-Backbone interact. energy: -0.056
local terms energy: -51.669760
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -8.067
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -155.924449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.924449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.924449 (E_RNA)
where:
Base-Base interactions energy: -101.654
where: short stacking energy: -36.658
Base-Backbone interact. energy: -1.236
local terms energy: -53.035354
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -3.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -93.849056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.849056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.849056 (E_RNA)
where:
Base-Base interactions energy: -37.352
where: short stacking energy: -31.351
Base-Backbone interact. energy: -0.016
local terms energy: -56.480372
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -233.895499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.895499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.895499 (E_RNA)
where:
Base-Base interactions energy: -157.877
where: short stacking energy: -80.868
Base-Backbone interact. energy: -0.701
local terms energy: -75.317092
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -225.085857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.085857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.085857 (E_RNA)
where:
Base-Base interactions energy: -143.788
where: short stacking energy: -71.204
Base-Backbone interact. energy: 1.662
local terms energy: -82.959777
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -20.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -216.321295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.321295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.321295 (E_RNA)
where:
Base-Base interactions energy: -142.848
where: short stacking energy: -67.072
Base-Backbone interact. energy: -0.104
local terms energy: -73.369262
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -207.933036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.933036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.933036 (E_RNA)
where:
Base-Base interactions energy: -131.895
where: short stacking energy: -69.844
Base-Backbone interact. energy: -0.041
local terms energy: -75.996930
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -18.649
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: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -203.195364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.195364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.195364 (E_RNA)
where:
Base-Base interactions energy: -129.817
where: short stacking energy: -66.578
Base-Backbone interact. energy: -0.048
local terms energy: -73.330432
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -170.509177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.509177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.509177 (E_RNA)
where:
Base-Base interactions energy: -107.541
where: short stacking energy: -54.294
Base-Backbone interact. energy: -0.006
local terms energy: -62.961639
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -11.773
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: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -187.899559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.899559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.899559 (E_RNA)
where:
Base-Base interactions energy: -121.249
where: short stacking energy: -68.700
Base-Backbone interact. energy: -0.037
local terms energy: -66.612902
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -178.404628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.404628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.404628 (E_RNA)
where:
Base-Base interactions energy: -105.810
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.059
local terms energy: -72.535866
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -16.190
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: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -156.814675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.814675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.814675 (E_RNA)
where:
Base-Base interactions energy: -98.522
where: short stacking energy: -49.683
Base-Backbone interact. energy: -0.088
local terms energy: -58.205274
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -10.025
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: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -92.236948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.236948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.236948 (E_RNA)
where:
Base-Base interactions energy: -56.520
where: short stacking energy: -49.352
Base-Backbone interact. energy: -0.105
local terms energy: -35.611889
where:
bonds (distance) C4'-P energy: -6.321
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -7.365
flat angles P-C4'-P energy: -5.477
tors. eta vs tors. theta energy: -6.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -239.501623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.501623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.501623 (E_RNA)
where:
Base-Base interactions energy: -162.584
where: short stacking energy: -77.535
Base-Backbone interact. energy: -0.002
local terms energy: -76.915452
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -243.531660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.531660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.531660 (E_RNA)
where:
Base-Base interactions energy: -160.465
where: short stacking energy: -85.161
Base-Backbone interact. energy: -0.619
local terms energy: -82.447751
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -22.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -214.105767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.105767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.105767 (E_RNA)
where:
Base-Base interactions energy: -142.435
where: short stacking energy: -71.414
Base-Backbone interact. energy: -0.139
local terms energy: -71.531260
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -201.698272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.698272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.698272 (E_RNA)
where:
Base-Base interactions energy: -128.714
where: short stacking energy: -63.680
Base-Backbone interact. energy: -0.001
local terms energy: -72.984067
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -199.251550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.251550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.251550 (E_RNA)
where:
Base-Base interactions energy: -130.736
where: short stacking energy: -59.958
Base-Backbone interact. energy: -0.026
local terms energy: -68.489514
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -174.629576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.629576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.629576 (E_RNA)
where:
Base-Base interactions energy: -113.537
where: short stacking energy: -61.888
Base-Backbone interact. energy: 1.222
local terms energy: -62.315415
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -169.186648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.186648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.186648 (E_RNA)
where:
Base-Base interactions energy: -108.315
where: short stacking energy: -49.612
Base-Backbone interact. energy: -0.728
local terms energy: -60.144134
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -8.802
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: 5
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -165.110994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.110994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.110994 (E_RNA)
where:
Base-Base interactions energy: -105.725
where: short stacking energy: -52.177
Base-Backbone interact. energy: -0.098
local terms energy: -59.287321
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -10.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -106.875140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.875140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.875140 (E_RNA)
where:
Base-Base interactions energy: -62.154
where: short stacking energy: -36.087
Base-Backbone interact. energy: -0.616
local terms energy: -44.104383
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -8.021
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -90.303248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.303248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.303248 (E_RNA)
where:
Base-Base interactions energy: -38.568
where: short stacking energy: -37.186
Base-Backbone interact. energy: -0.032
local terms energy: -51.703932
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -6.625
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: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -233.834319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.834319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.834319 (E_RNA)
where:
Base-Base interactions energy: -153.792
where: short stacking energy: -73.822
Base-Backbone interact. energy: -0.008
local terms energy: -80.034377
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -232.615012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.615012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.615012 (E_RNA)
where:
Base-Base interactions energy: -153.831
where: short stacking energy: -79.054
Base-Backbone interact. energy: -0.001
local terms energy: -78.782254
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -222.042321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.042321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.042321 (E_RNA)
where:
Base-Base interactions energy: -148.289
where: short stacking energy: -76.459
Base-Backbone interact. energy: -0.052
local terms energy: -73.701229
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -192.874463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.874463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.874463 (E_RNA)
where:
Base-Base interactions energy: -116.838
where: short stacking energy: -63.030
Base-Backbone interact. energy: -0.050
local terms energy: -75.986194
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -181.713586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.713586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.713586 (E_RNA)
where:
Base-Base interactions energy: -118.021
where: short stacking energy: -61.923
Base-Backbone interact. energy: -0.006
local terms energy: -63.686790
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -172.720715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.720715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.720715 (E_RNA)
where:
Base-Base interactions energy: -107.853
where: short stacking energy: -47.682
Base-Backbone interact. energy: -0.123
local terms energy: -64.744759
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -173.922751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.922751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.922751 (E_RNA)
where:
Base-Base interactions energy: -116.346
where: short stacking energy: -64.249
Base-Backbone interact. energy: -1.477
local terms energy: -56.099725
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -1.363
tors. eta vs tors. theta energy: -12.961
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: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -176.624081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.624081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.624081 (E_RNA)
where:
Base-Base interactions energy: -110.298
where: short stacking energy: -55.230
Base-Backbone interact. energy: -0.115
local terms energy: -66.211310
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -7.926
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: 9, replica: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -133.469370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.469370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.469370 (E_RNA)
where:
Base-Base interactions energy: -81.317
where: short stacking energy: -48.659
Base-Backbone interact. energy: -0.233
local terms energy: -51.919233
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -7.209
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: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -84.794009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.794009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.794009 (E_RNA)
where:
Base-Base interactions energy: -38.987
where: short stacking energy: -38.987
Base-Backbone interact. energy: -0.004
local terms energy: -45.802645
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -0.709
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: 1, replica: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -227.086978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.086978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.086978 (E_RNA)
where:
Base-Base interactions energy: -152.725
where: short stacking energy: -79.262
Base-Backbone interact. energy: -0.432
local terms energy: -73.930101
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -232.516952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.516952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.516952 (E_RNA)
where:
Base-Base interactions energy: -158.381
where: short stacking energy: -78.479
Base-Backbone interact. energy: -0.006
local terms energy: -74.130110
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -226.806034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.806034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.806034 (E_RNA)
where:
Base-Base interactions energy: -150.174
where: short stacking energy: -80.648
Base-Backbone interact. energy: -1.435
local terms energy: -75.197197
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -23.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -213.545896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.545896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.545896 (E_RNA)
where:
Base-Base interactions energy: -139.595
where: short stacking energy: -74.192
Base-Backbone interact. energy: 0.104
local terms energy: -74.055473
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -197.267609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.267609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.267609 (E_RNA)
where:
Base-Base interactions energy: -136.302
where: short stacking energy: -58.180
Base-Backbone interact. energy: -0.271
local terms energy: -60.694664
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -13.277
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: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -176.486573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.486573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.486573 (E_RNA)
where:
Base-Base interactions energy: -114.620
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.486
local terms energy: -61.380044
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -13.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -167.780775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.780775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.780775 (E_RNA)
where:
Base-Base interactions energy: -108.562
where: short stacking energy: -49.810
Base-Backbone interact. energy: -0.037
local terms energy: -59.181571
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -12.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -175.225000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.225000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.225000 (E_RNA)
where:
Base-Base interactions energy: -117.993
where: short stacking energy: -43.898
Base-Backbone interact. energy: -0.250
local terms energy: -56.981949
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -4.626
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: 9, replica: 3
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -134.193458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.193458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.193458 (E_RNA)
where:
Base-Base interactions energy: -82.821
where: short stacking energy: -40.809
Base-Backbone interact. energy: -0.090
local terms energy: -51.282471
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -110.677029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.677029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.677029 (E_RNA)
where:
Base-Base interactions energy: -62.513
where: short stacking energy: -31.240
Base-Backbone interact. energy: -0.826
local terms energy: -47.337697
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -236.486116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.486116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.486116 (E_RNA)
where:
Base-Base interactions energy: -156.772
where: short stacking energy: -80.706
Base-Backbone interact. energy: -1.155
local terms energy: -78.559578
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -21.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -239.389598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.389598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.389598 (E_RNA)
where:
Base-Base interactions energy: -156.268
where: short stacking energy: -81.006
Base-Backbone interact. energy: -1.165
local terms energy: -81.956110
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -13.683
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: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -226.318750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.318750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.318750 (E_RNA)
where:
Base-Base interactions energy: -149.730
where: short stacking energy: -70.416
Base-Backbone interact. energy: -0.021
local terms energy: -76.567138
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -21.061
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: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -206.840829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.840829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.840829 (E_RNA)
where:
Base-Base interactions energy: -138.538
where: short stacking energy: -70.526
Base-Backbone interact. energy: -0.040
local terms energy: -68.263085
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -9.362
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: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -193.746527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.746527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.746527 (E_RNA)
where:
Base-Base interactions energy: -120.539
where: short stacking energy: -62.441
Base-Backbone interact. energy: -0.202
local terms energy: -73.005726
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -192.227765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.227765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.227765 (E_RNA)
where:
Base-Base interactions energy: -140.999
where: short stacking energy: -68.728
Base-Backbone interact. energy: -0.143
local terms energy: -51.086117
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -1.128
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -179.321271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.321271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.321271 (E_RNA)
where:
Base-Base interactions energy: -115.520
where: short stacking energy: -54.344
Base-Backbone interact. energy: -0.107
local terms energy: -63.694865
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -168.470446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.470446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.470446 (E_RNA)
where:
Base-Base interactions energy: -107.486
where: short stacking energy: -54.974
Base-Backbone interact. energy: -0.585
local terms energy: -60.399020
where:
bonds (distance) C4'-P energy: -8.303
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -10.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -117.341780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.341780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.341780 (E_RNA)
where:
Base-Base interactions energy: -62.261
where: short stacking energy: -31.178
Base-Backbone interact. energy: 0.043
local terms energy: -55.123874
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -118.854540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.854540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.854540 (E_RNA)
where:
Base-Base interactions energy: -76.902
where: short stacking energy: -35.757
Base-Backbone interact. energy: -0.277
local terms energy: -41.675764
where:
bonds (distance) C4'-P energy: -5.530
bonds (distance) P-C4' energy: -9.457
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -9.084
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: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -237.684979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.684979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.684979 (E_RNA)
where:
Base-Base interactions energy: -156.157
where: short stacking energy: -78.022
Base-Backbone interact. energy: -0.065
local terms energy: -81.463196
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -232.195291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.195291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.195291 (E_RNA)
where:
Base-Base interactions energy: -156.732
where: short stacking energy: -73.997
Base-Backbone interact. energy: 0.299
local terms energy: -75.762586
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -16.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -222.059268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.059268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.059268 (E_RNA)
where:
Base-Base interactions energy: -152.747
where: short stacking energy: -75.306
Base-Backbone interact. energy: -0.071
local terms energy: -69.241357
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -21.579
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: 455
Temperature: 1.050000
Total energy: -219.344101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.344101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.344101 (E_RNA)
where:
Base-Base interactions energy: -143.834
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.150
local terms energy: -75.360845
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -9.924
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: 5, replica: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -199.206718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.206718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.206718 (E_RNA)
where:
Base-Base interactions energy: -128.436
where: short stacking energy: -64.424
Base-Backbone interact. energy: -0.119
local terms energy: -70.652504
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -12.387
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: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -185.884011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.884011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.884011 (E_RNA)
where:
Base-Base interactions energy: -115.282
where: short stacking energy: -58.550
Base-Backbone interact. energy: -0.047
local terms energy: -70.555442
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -12.435
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: 7, replica: 7
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -179.863722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.863722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.863722 (E_RNA)
where:
Base-Base interactions energy: -113.083
where: short stacking energy: -53.932
Base-Backbone interact. energy: -1.426
local terms energy: -65.355058
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -6.922
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: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -158.709020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.709020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.709020 (E_RNA)
where:
Base-Base interactions energy: -101.972
where: short stacking energy: -47.823
Base-Backbone interact. energy: -0.679
local terms energy: -56.058088
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -10.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -90.134230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.134230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.134230 (E_RNA)
where:
Base-Base interactions energy: -41.059
where: short stacking energy: -36.574
Base-Backbone interact. energy: -0.284
local terms energy: -48.791354
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -3.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -86.892227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.892227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.892227 (E_RNA)
where:
Base-Base interactions energy: -35.344
where: short stacking energy: -35.344
Base-Backbone interact. energy: -0.007
local terms energy: -51.541145
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -6.752
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -7.751
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: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -237.965555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.965555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.965555 (E_RNA)
where:
Base-Base interactions energy: -161.326
where: short stacking energy: -83.200
Base-Backbone interact. energy: -0.413
local terms energy: -76.226373
where:
bonds (distance) C4'-P energy: -9.372
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -22.586
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: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -236.388075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.388075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.388075 (E_RNA)
where:
Base-Base interactions energy: -159.967
where: short stacking energy: -69.054
Base-Backbone interact. energy: -0.095
local terms energy: -76.326517
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -18.976
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: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -204.532944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.532944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.532944 (E_RNA)
where:
Base-Base interactions energy: -139.327
where: short stacking energy: -69.055
Base-Backbone interact. energy: -0.000
local terms energy: -65.205860
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -14.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -204.447104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.447104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.447104 (E_RNA)
where:
Base-Base interactions energy: -139.899
where: short stacking energy: -71.824
Base-Backbone interact. energy: -0.854
local terms energy: -63.694452
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -16.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -194.479582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.479582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.479582 (E_RNA)
where:
Base-Base interactions energy: -136.156
where: short stacking energy: -63.686
Base-Backbone interact. energy: -0.107
local terms energy: -58.215911
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -9.951
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -5.898
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: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -182.644387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.644387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.644387 (E_RNA)
where:
Base-Base interactions energy: -114.337
where: short stacking energy: -55.116
Base-Backbone interact. energy: -0.043
local terms energy: -68.264162
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -9.050
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: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -162.820560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.820560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.820560 (E_RNA)
where:
Base-Base interactions energy: -104.770
where: short stacking energy: -56.852
Base-Backbone interact. energy: -0.198
local terms energy: -57.852288
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -11.779
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: 456
Temperature: 1.250000
Total energy: -173.891615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.891615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.891615 (E_RNA)
where:
Base-Base interactions energy: -109.504
where: short stacking energy: -49.695
Base-Backbone interact. energy: -0.107
local terms energy: -64.280824
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -89.663589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.663589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.663589 (E_RNA)
where:
Base-Base interactions energy: -40.722
where: short stacking energy: -23.513
Base-Backbone interact. energy: 0.835
local terms energy: -49.776259
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -77.994101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.994101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.994101 (E_RNA)
where:
Base-Base interactions energy: -37.967
where: short stacking energy: -19.427
Base-Backbone interact. energy: 1.760
local terms energy: -41.786904
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: 5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -233.040052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.040052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.040052 (E_RNA)
where:
Base-Base interactions energy: -152.652
where: short stacking energy: -78.203
Base-Backbone interact. energy: -0.330
local terms energy: -80.057617
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -21.869
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: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -235.168358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.168358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.168358 (E_RNA)
where:
Base-Base interactions energy: -157.063
where: short stacking energy: -82.608
Base-Backbone interact. energy: -0.000
local terms energy: -78.105196
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -25.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -217.677053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.677053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.677053 (E_RNA)
where:
Base-Base interactions energy: -140.904
where: short stacking energy: -68.103
Base-Backbone interact. energy: -0.017
local terms energy: -76.756066
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -202.866127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.866127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.866127 (E_RNA)
where:
Base-Base interactions energy: -129.404
where: short stacking energy: -69.587
Base-Backbone interact. energy: -0.024
local terms energy: -73.438044
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -195.074383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.074383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.074383 (E_RNA)
where:
Base-Base interactions energy: -125.964
where: short stacking energy: -62.736
Base-Backbone interact. energy: -0.156
local terms energy: -68.953468
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -10.387
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: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -199.459258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.459258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.459258 (E_RNA)
where:
Base-Base interactions energy: -135.912
where: short stacking energy: -62.526
Base-Backbone interact. energy: 0.338
local terms energy: -63.885638
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -7.553
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -11.904
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: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -173.311006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.311006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.311006 (E_RNA)
where:
Base-Base interactions energy: -108.029
where: short stacking energy: -65.925
Base-Backbone interact. energy: -0.006
local terms energy: -65.275718
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -15.075
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: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -171.016849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.016849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.016849 (E_RNA)
where:
Base-Base interactions energy: -105.349
where: short stacking energy: -52.271
Base-Backbone interact. energy: -0.246
local terms energy: -65.421681
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -12.914
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: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -104.405529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.405529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.405529 (E_RNA)
where:
Base-Base interactions energy: -44.231
where: short stacking energy: -44.231
Base-Backbone interact. energy: 0.542
local terms energy: -60.716359
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -5.796
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: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -97.436624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.436624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.436624 (E_RNA)
where:
Base-Base interactions energy: -41.207
where: short stacking energy: -30.629
Base-Backbone interact. energy: -0.056
local terms energy: -56.173102
where:
bonds (distance) C4'-P energy: -9.023
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -235.557642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.557642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.557642 (E_RNA)
where:
Base-Base interactions energy: -157.796
where: short stacking energy: -80.198
Base-Backbone interact. energy: -1.013
local terms energy: -76.748838
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -235.612467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.612467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.612467 (E_RNA)
where:
Base-Base interactions energy: -152.847
where: short stacking energy: -78.077
Base-Backbone interact. energy: -1.009
local terms energy: -81.757043
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -220.078690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.078690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.078690 (E_RNA)
where:
Base-Base interactions energy: -152.086
where: short stacking energy: -74.503
Base-Backbone interact. energy: -0.026
local terms energy: -67.966379
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -206.921693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.921693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.921693 (E_RNA)
where:
Base-Base interactions energy: -129.119
where: short stacking energy: -65.350
Base-Backbone interact. energy: -0.740
local terms energy: -77.062813
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -198.599945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.599945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.599945 (E_RNA)
where:
Base-Base interactions energy: -134.109
where: short stacking energy: -63.482
Base-Backbone interact. energy: -0.990
local terms energy: -63.500751
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -14.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -201.525691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.525691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.525691 (E_RNA)
where:
Base-Base interactions energy: -126.566
where: short stacking energy: -69.090
Base-Backbone interact. energy: -0.055
local terms energy: -74.904768
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -173.102400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.102400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.102400 (E_RNA)
where:
Base-Base interactions energy: -108.095
where: short stacking energy: -58.762
Base-Backbone interact. energy: -0.008
local terms energy: -64.999581
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -184.722361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.722361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.722361 (E_RNA)
where:
Base-Base interactions energy: -123.396
where: short stacking energy: -59.738
Base-Backbone interact. energy: 0.789
local terms energy: -62.114833
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -82.184111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.184111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.184111 (E_RNA)
where:
Base-Base interactions energy: -34.488
where: short stacking energy: -34.488
Base-Backbone interact. energy: -0.023
local terms energy: -47.672949
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -9.984
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: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -97.169566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.169566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.169566 (E_RNA)
where:
Base-Base interactions energy: -45.907
where: short stacking energy: -35.426
Base-Backbone interact. energy: -0.204
local terms energy: -51.058682
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -0.622
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: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -240.831834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.831834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.831834 (E_RNA)
where:
Base-Base interactions energy: -158.897
where: short stacking energy: -76.421
Base-Backbone interact. energy: -0.164
local terms energy: -81.770442
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -19.846
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: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -230.382852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.382852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.382852 (E_RNA)
where:
Base-Base interactions energy: -154.433
where: short stacking energy: -76.540
Base-Backbone interact. energy: 0.203
local terms energy: -76.152578
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -229.874564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.874564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.874564 (E_RNA)
where:
Base-Base interactions energy: -155.454
where: short stacking energy: -82.464
Base-Backbone interact. energy: -0.013
local terms energy: -74.406980
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -19.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -199.622002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.622002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.622002 (E_RNA)
where:
Base-Base interactions energy: -131.955
where: short stacking energy: -60.787
Base-Backbone interact. energy: -0.047
local terms energy: -67.619860
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -205.723908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.723908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.723908 (E_RNA)
where:
Base-Base interactions energy: -135.828
where: short stacking energy: -61.680
Base-Backbone interact. energy: -0.115
local terms energy: -69.780970
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -13.349
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: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -185.721743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.721743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.721743 (E_RNA)
where:
Base-Base interactions energy: -114.709
where: short stacking energy: -60.226
Base-Backbone interact. energy: -0.145
local terms energy: -70.867749
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -9.124
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: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -180.424419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.424419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.424419 (E_RNA)
where:
Base-Base interactions energy: -115.559
where: short stacking energy: -58.708
Base-Backbone interact. energy: -0.186
local terms energy: -64.679716
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -11.909
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: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -101.408514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.408514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.408514 (E_RNA)
where:
Base-Base interactions energy: -43.868
where: short stacking energy: -35.847
Base-Backbone interact. energy: -0.259
local terms energy: -57.281271
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -166.938147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.938147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.938147 (E_RNA)
where:
Base-Base interactions energy: -105.170
where: short stacking energy: -50.473
Base-Backbone interact. energy: -0.074
local terms energy: -61.694302
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -10.031
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: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -78.334565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.334565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.334565 (E_RNA)
where:
Base-Base interactions energy: -26.385
where: short stacking energy: -25.883
Base-Backbone interact. energy: -0.191
local terms energy: -51.759536
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -10.604
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: 1, replica: 10
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -221.104708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.104708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.104708 (E_RNA)
where:
Base-Base interactions energy: -147.133
where: short stacking energy: -73.471
Base-Backbone interact. energy: -0.001
local terms energy: -73.970408
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -229.817387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.817387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.817387 (E_RNA)
where:
Base-Base interactions energy: -155.129
where: short stacking energy: -84.472
Base-Backbone interact. energy: -0.002
local terms energy: -74.686286
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -21.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -233.991332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.991332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.991332 (E_RNA)
where:
Base-Base interactions energy: -152.967
where: short stacking energy: -77.598
Base-Backbone interact. energy: -1.172
local terms energy: -79.852289
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -188.786843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.786843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.786843 (E_RNA)
where:
Base-Base interactions energy: -114.368
where: short stacking energy: -57.411
Base-Backbone interact. energy: -0.559
local terms energy: -73.859600
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -13.109
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: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -191.895423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.895423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.895423 (E_RNA)
where:
Base-Base interactions energy: -116.095
where: short stacking energy: -62.167
Base-Backbone interact. energy: 0.522
local terms energy: -76.322004
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -199.576581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.576581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.576581 (E_RNA)
where:
Base-Base interactions energy: -142.552
where: short stacking energy: -74.000
Base-Backbone interact. energy: -0.008
local terms energy: -57.017144
where:
bonds (distance) C4'-P energy: -5.951
bonds (distance) P-C4' energy: -8.788
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -180.233985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.233985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.233985 (E_RNA)
where:
Base-Base interactions energy: -115.754
where: short stacking energy: -52.996
Base-Backbone interact. energy: 0.042
local terms energy: -64.521748
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -111.339898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.339898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.339898 (E_RNA)
where:
Base-Base interactions energy: -61.071
where: short stacking energy: -29.818
Base-Backbone interact. energy: -0.790
local terms energy: -49.478395
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -10.072
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -7.557
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: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -172.201840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.201840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.201840 (E_RNA)
where:
Base-Base interactions energy: -112.307
where: short stacking energy: -56.310
Base-Backbone interact. energy: -0.206
local terms energy: -59.689028
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -82.109538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.109538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.109538 (E_RNA)
where:
Base-Base interactions energy: -33.356
where: short stacking energy: -32.870
Base-Backbone interact. energy: -0.019
local terms energy: -48.734357
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -6.512
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -226.986181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.986181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.986181 (E_RNA)
where:
Base-Base interactions energy: -151.459
where: short stacking energy: -68.542
Base-Backbone interact. energy: -0.653
local terms energy: -74.873910
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -223.493058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.493058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.493058 (E_RNA)
where:
Base-Base interactions energy: -155.914
where: short stacking energy: -78.040
Base-Backbone interact. energy: -0.001
local terms energy: -67.577761
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -223.454610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.454610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.454610 (E_RNA)
where:
Base-Base interactions energy: -145.713
where: short stacking energy: -74.937
Base-Backbone interact. energy: -0.002
local terms energy: -77.740372
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -14.608
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: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -203.017379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.017379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.017379 (E_RNA)
where:
Base-Base interactions energy: -133.194
where: short stacking energy: -71.766
Base-Backbone interact. energy: -0.759
local terms energy: -69.064160
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -206.130217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.130217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.130217 (E_RNA)
where:
Base-Base interactions energy: -139.129
where: short stacking energy: -71.646
Base-Backbone interact. energy: -1.719
local terms energy: -65.282775
where:
bonds (distance) C4'-P energy: -4.112
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -12.881
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: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -196.590216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.590216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.590216 (E_RNA)
where:
Base-Base interactions energy: -119.942
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.260
local terms energy: -76.387872
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -9.766
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: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -180.086938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.086938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.086938 (E_RNA)
where:
Base-Base interactions energy: -114.164
where: short stacking energy: -60.686
Base-Backbone interact. energy: -0.532
local terms energy: -65.390886
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -3.459
tors. eta vs tors. theta energy: -15.344
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: 8, replica: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -153.235595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.235595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.235595 (E_RNA)
where:
Base-Base interactions energy: -110.626
where: short stacking energy: -52.151
Base-Backbone interact. energy: -0.180
local terms energy: -42.429600
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -9.099
flat angles C4'-P-C4' energy: -7.472
flat angles P-C4'-P energy: -5.380
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: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -92.476252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.476252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.476252 (E_RNA)
where:
Base-Base interactions energy: -46.668
where: short stacking energy: -27.868
Base-Backbone interact. energy: 0.412
local terms energy: -46.219548
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: 0.034
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: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -77.757635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.757635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.757635 (E_RNA)
where:
Base-Base interactions energy: -38.030
where: short stacking energy: -23.715
Base-Backbone interact. energy: -0.265
local terms energy: -39.462887
where:
bonds (distance) C4'-P energy: -6.051
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: 2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -232.535212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.535212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.535212 (E_RNA)
where:
Base-Base interactions energy: -154.539
where: short stacking energy: -71.504
Base-Backbone interact. energy: -0.001
local terms energy: -77.994453
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -20.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -229.545063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.545063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.545063 (E_RNA)
where:
Base-Base interactions energy: -147.258
where: short stacking energy: -83.027
Base-Backbone interact. energy: -1.233
local terms energy: -81.054199
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -227.320632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.320632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.320632 (E_RNA)
where:
Base-Base interactions energy: -150.619
where: short stacking energy: -79.020
Base-Backbone interact. energy: -0.684
local terms energy: -76.017722
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -8.667
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: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -190.064777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.064777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.064777 (E_RNA)
where:
Base-Base interactions energy: -120.841
where: short stacking energy: -60.238
Base-Backbone interact. energy: -1.190
local terms energy: -68.033507
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -214.700204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.700204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.700204 (E_RNA)
where:
Base-Base interactions energy: -143.486
where: short stacking energy: -68.358
Base-Backbone interact. energy: -0.663
local terms energy: -70.550463
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -191.968648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.968648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.968648 (E_RNA)
where:
Base-Base interactions energy: -128.177
where: short stacking energy: -61.494
Base-Backbone interact. energy: -0.002
local terms energy: -63.789728
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -12.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -170.896665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.896665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.896665 (E_RNA)
where:
Base-Base interactions energy: -105.476
where: short stacking energy: -55.328
Base-Backbone interact. energy: -0.157
local terms energy: -65.263497
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -11.353
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: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -167.368320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.368320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.368320 (E_RNA)
where:
Base-Base interactions energy: -105.335
where: short stacking energy: -52.916
Base-Backbone interact. energy: -0.564
local terms energy: -61.469366
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -11.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -81.207538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.207538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.207538 (E_RNA)
where:
Base-Base interactions energy: -33.957
where: short stacking energy: -32.399
Base-Backbone interact. energy: -0.830
local terms energy: -46.419728
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: 0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -84.127684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.127684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.127684 (E_RNA)
where:
Base-Base interactions energy: -36.693
where: short stacking energy: -32.799
Base-Backbone interact. energy: 0.079
local terms energy: -47.513316
where:
bonds (distance) C4'-P energy: -6.078
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -3.942
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: 1, replica: 8
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -236.468152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.468152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.468152 (E_RNA)
where:
Base-Base interactions energy: -157.053
where: short stacking energy: -76.442
Base-Backbone interact. energy: -0.031
local terms energy: -79.383889
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -225.937223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.937223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.937223 (E_RNA)
where:
Base-Base interactions energy: -147.290
where: short stacking energy: -70.575
Base-Backbone interact. energy: -0.005
local terms energy: -78.643042
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -219.459903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.459903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.459903 (E_RNA)
where:
Base-Base interactions energy: -150.147
where: short stacking energy: -76.822
Base-Backbone interact. energy: -0.006
local terms energy: -69.306749
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -22.091
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: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -217.471480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.471480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.471480 (E_RNA)
where:
Base-Base interactions energy: -148.573
where: short stacking energy: -75.875
Base-Backbone interact. energy: -0.017
local terms energy: -68.880758
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -208.588320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.588320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.588320 (E_RNA)
where:
Base-Base interactions energy: -135.694
where: short stacking energy: -65.998
Base-Backbone interact. energy: -0.090
local terms energy: -72.804799
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -15.454
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: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -187.919796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.919796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.919796 (E_RNA)
where:
Base-Base interactions energy: -117.552
where: short stacking energy: -62.144
Base-Backbone interact. energy: -0.079
local terms energy: -70.288717
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -15.363
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: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -183.260768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.260768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.260768 (E_RNA)
where:
Base-Base interactions energy: -125.229
where: short stacking energy: -59.133
Base-Backbone interact. energy: 0.718
local terms energy: -58.749631
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -107.787155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.787155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.787155 (E_RNA)
where:
Base-Base interactions energy: -52.879
where: short stacking energy: -39.797
Base-Backbone interact. energy: -0.154
local terms energy: -54.753867
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -3.703
tors. eta vs tors. theta energy: -10.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -166.466691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.466691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.466691 (E_RNA)
where:
Base-Base interactions energy: -104.442
where: short stacking energy: -49.733
Base-Backbone interact. energy: -0.158
local terms energy: -61.866495
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -8.090
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: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -90.563036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.563036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.563036 (E_RNA)
where:
Base-Base interactions energy: -42.653
where: short stacking energy: -36.011
Base-Backbone interact. energy: -0.052
local terms energy: -47.858958
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -9.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -236.317113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.317113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.317113 (E_RNA)
where:
Base-Base interactions energy: -153.835
where: short stacking energy: -77.206
Base-Backbone interact. energy: -0.149
local terms energy: -82.332991
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -237.123130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.123130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.123130 (E_RNA)
where:
Base-Base interactions energy: -153.405
where: short stacking energy: -77.357
Base-Backbone interact. energy: -0.696
local terms energy: -83.022206
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -224.047292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.047292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.047292 (E_RNA)
where:
Base-Base interactions energy: -144.248
where: short stacking energy: -74.867
Base-Backbone interact. energy: -1.055
local terms energy: -78.743963
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -21.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -207.497513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.497513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.497513 (E_RNA)
where:
Base-Base interactions energy: -146.980
where: short stacking energy: -67.565
Base-Backbone interact. energy: 1.210
local terms energy: -61.727924
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -7.881
flat angles P-C4'-P energy: -9.078
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: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -185.357068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.357068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.357068 (E_RNA)
where:
Base-Base interactions energy: -114.997
where: short stacking energy: -55.896
Base-Backbone interact. energy: 0.323
local terms energy: -70.683489
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -198.295848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.295848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.295848 (E_RNA)
where:
Base-Base interactions energy: -136.903
where: short stacking energy: -69.140
Base-Backbone interact. energy: -0.030
local terms energy: -61.362061
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -8.483
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -8.038
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: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -196.293622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.293622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.293622 (E_RNA)
where:
Base-Base interactions energy: -130.152
where: short stacking energy: -63.993
Base-Backbone interact. energy: -0.327
local terms energy: -65.815148
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -6.882
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: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -97.212311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.212311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.212311 (E_RNA)
where:
Base-Base interactions energy: -43.147
where: short stacking energy: -37.840
Base-Backbone interact. energy: -0.240
local terms energy: -53.824963
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -9.842
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -169.740950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.740950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.740950 (E_RNA)
where:
Base-Base interactions energy: -116.678
where: short stacking energy: -55.015
Base-Backbone interact. energy: 1.596
local terms energy: -54.658091
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -7.446
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -89.868331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.868331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.868331 (E_RNA)
where:
Base-Base interactions energy: -35.107
where: short stacking energy: -34.069
Base-Backbone interact. energy: -0.367
local terms energy: -54.394176
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -5.429
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: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -229.235836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.235836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.235836 (E_RNA)
where:
Base-Base interactions energy: -150.103
where: short stacking energy: -77.059
Base-Backbone interact. energy: -0.223
local terms energy: -78.909958
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -10.932
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: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -222.542649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.542649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.542649 (E_RNA)
where:
Base-Base interactions energy: -156.970
where: short stacking energy: -75.565
Base-Backbone interact. energy: -0.042
local terms energy: -65.530852
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -1.720
tors. eta vs tors. theta energy: -20.848
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: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -231.876664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.876664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.876664 (E_RNA)
where:
Base-Base interactions energy: -159.450
where: short stacking energy: -80.869
Base-Backbone interact. energy: -0.092
local terms energy: -72.334814
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -191.081272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.081272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.081272 (E_RNA)
where:
Base-Base interactions energy: -118.590
where: short stacking energy: -58.619
Base-Backbone interact. energy: -0.010
local terms energy: -72.481351
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -10.023
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: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -197.881474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.881474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.881474 (E_RNA)
where:
Base-Base interactions energy: -126.557
where: short stacking energy: -58.270
Base-Backbone interact. energy: 0.568
local terms energy: -71.892517
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -189.865152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.865152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.865152 (E_RNA)
where:
Base-Base interactions energy: -121.643
where: short stacking energy: -60.255
Base-Backbone interact. energy: -0.093
local terms energy: -68.129001
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -189.681431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.681431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.681431 (E_RNA)
where:
Base-Base interactions energy: -119.332
where: short stacking energy: -56.249
Base-Backbone interact. energy: -0.600
local terms energy: -69.748891
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -9.212
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: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -163.158187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.158187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.158187 (E_RNA)
where:
Base-Base interactions energy: -111.066
where: short stacking energy: -48.913
Base-Backbone interact. energy: -0.095
local terms energy: -51.997421
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -5.499
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: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -90.812432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.812432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.812432 (E_RNA)
where:
Base-Base interactions energy: -41.870
where: short stacking energy: -41.071
Base-Backbone interact. energy: -0.046
local terms energy: -48.897027
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -87.378512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.378512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.378512 (E_RNA)
where:
Base-Base interactions energy: -42.653
where: short stacking energy: -42.306
Base-Backbone interact. energy: -0.164
local terms energy: -44.560719
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -228.170218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.170218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.170218 (E_RNA)
where:
Base-Base interactions energy: -150.045
where: short stacking energy: -76.089
Base-Backbone interact. energy: -0.027
local terms energy: -78.098600
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -238.909315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.909315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.909315 (E_RNA)
where:
Base-Base interactions energy: -159.230
where: short stacking energy: -79.169
Base-Backbone interact. energy: -0.259
local terms energy: -79.420796
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -20.718
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: 8
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -233.338343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.338343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.338343 (E_RNA)
where:
Base-Base interactions energy: -154.703
where: short stacking energy: -78.603
Base-Backbone interact. energy: -0.011
local terms energy: -78.624094
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -191.413424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.413424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.413424 (E_RNA)
where:
Base-Base interactions energy: -124.865
where: short stacking energy: -66.567
Base-Backbone interact. energy: -0.040
local terms energy: -66.508584
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -212.292199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.292199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.292199 (E_RNA)
where:
Base-Base interactions energy: -145.901
where: short stacking energy: -75.278
Base-Backbone interact. energy: -0.245
local terms energy: -66.146113
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -6.546
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: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -195.875526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.875526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.875526 (E_RNA)
where:
Base-Base interactions energy: -129.646
where: short stacking energy: -66.485
Base-Backbone interact. energy: -0.096
local terms energy: -66.132879
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -9.795
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -12.989
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: 7, replica: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -186.146624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.146624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.146624 (E_RNA)
where:
Base-Base interactions energy: -119.752
where: short stacking energy: -60.910
Base-Backbone interact. energy: -0.124
local terms energy: -66.270312
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -13.133
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: 2
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -172.675922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.675922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.675922 (E_RNA)
where:
Base-Base interactions energy: -111.542
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.027
local terms energy: -61.107138
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -8.550
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -92.581919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.581919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.581919 (E_RNA)
where:
Base-Base interactions energy: -38.091
where: short stacking energy: -38.091
Base-Backbone interact. energy: -0.068
local terms energy: -54.422716
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -8.186
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: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -79.260871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.260871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.260871 (E_RNA)
where:
Base-Base interactions energy: -28.527
where: short stacking energy: -28.527
Base-Backbone interact. energy: -0.110
local terms energy: -50.624258
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -0.149
tors. eta vs tors. theta energy: -7.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -237.181551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.181551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.181551 (E_RNA)
where:
Base-Base interactions energy: -156.271
where: short stacking energy: -78.308
Base-Backbone interact. energy: -1.859
local terms energy: -79.051914
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -22.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -237.638149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.638149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.638149 (E_RNA)
where:
Base-Base interactions energy: -158.451
where: short stacking energy: -79.955
Base-Backbone interact. energy: 0.180
local terms energy: -79.366948
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -13.805
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: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -226.751374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.751374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.751374 (E_RNA)
where:
Base-Base interactions energy: -151.443
where: short stacking energy: -76.096
Base-Backbone interact. energy: -0.005
local terms energy: -75.303181
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -218.044931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.044931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.044931 (E_RNA)
where:
Base-Base interactions energy: -140.878
where: short stacking energy: -72.746
Base-Backbone interact. energy: -1.058
local terms energy: -76.109387
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -185.236616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.236616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.236616 (E_RNA)
where:
Base-Base interactions energy: -120.077
where: short stacking energy: -64.222
Base-Backbone interact. energy: 1.047
local terms energy: -66.206142
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -13.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -198.719316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.719316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.719316 (E_RNA)
where:
Base-Base interactions energy: -132.869
where: short stacking energy: -62.276
Base-Backbone interact. energy: -0.033
local terms energy: -65.817152
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -174.358431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.358431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.358431 (E_RNA)
where:
Base-Base interactions energy: -109.148
where: short stacking energy: -51.860
Base-Backbone interact. energy: -0.424
local terms energy: -64.786194
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -13.687
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: 467
Temperature: 1.250000
Total energy: -165.461107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.461107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.461107 (E_RNA)
where:
Base-Base interactions energy: -105.382
where: short stacking energy: -55.904
Base-Backbone interact. energy: -0.322
local terms energy: -59.756779
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -12.806
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: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -90.956371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.956371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.956371 (E_RNA)
where:
Base-Base interactions energy: -51.504
where: short stacking energy: -31.758
Base-Backbone interact. energy: -0.187
local terms energy: -39.264665
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -9.395
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: 4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -94.636389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.636389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.636389 (E_RNA)
where:
Base-Base interactions energy: -45.700
where: short stacking energy: -45.354
Base-Backbone interact. energy: 1.021
local terms energy: -49.957367
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -8.069
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -6.325
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: 1, replica: 8
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -237.500040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.500040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.500040 (E_RNA)
where:
Base-Base interactions energy: -154.108
where: short stacking energy: -73.569
Base-Backbone interact. energy: -0.382
local terms energy: -83.009644
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -225.562705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.562705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.562705 (E_RNA)
where:
Base-Base interactions energy: -145.677
where: short stacking energy: -80.760
Base-Backbone interact. energy: -0.006
local terms energy: -79.879690
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -12.537
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: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -233.302649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.302649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.302649 (E_RNA)
where:
Base-Base interactions energy: -150.370
where: short stacking energy: -72.355
Base-Backbone interact. energy: -1.303
local terms energy: -81.630338
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -209.052005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.052005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.052005 (E_RNA)
where:
Base-Base interactions energy: -136.568
where: short stacking energy: -62.348
Base-Backbone interact. energy: -0.264
local terms energy: -72.220062
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -18.493
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: 7
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -198.625857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.625857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.625857 (E_RNA)
where:
Base-Base interactions energy: -130.645
where: short stacking energy: -66.750
Base-Backbone interact. energy: 0.828
local terms energy: -68.808584
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -189.413026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.413026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.413026 (E_RNA)
where:
Base-Base interactions energy: -126.604
where: short stacking energy: -56.677
Base-Backbone interact. energy: -0.312
local terms energy: -62.496783
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -170.361548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.361548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.361548 (E_RNA)
where:
Base-Base interactions energy: -106.495
where: short stacking energy: -53.399
Base-Backbone interact. energy: -0.074
local terms energy: -63.792460
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -12.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -167.665037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.665037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.665037 (E_RNA)
where:
Base-Base interactions energy: -104.626
where: short stacking energy: -49.886
Base-Backbone interact. energy: -0.078
local terms energy: -62.960961
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -8.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -116.014017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.014017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.014017 (E_RNA)
where:
Base-Base interactions energy: -53.941
where: short stacking energy: -46.003
Base-Backbone interact. energy: -0.005
local terms energy: -62.068097
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -11.443
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: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -84.569570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.569570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.569570 (E_RNA)
where:
Base-Base interactions energy: -36.993
where: short stacking energy: -32.012
Base-Backbone interact. energy: -0.044
local terms energy: -47.533043
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -0.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -236.130908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.130908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.130908 (E_RNA)
where:
Base-Base interactions energy: -155.700
where: short stacking energy: -74.580
Base-Backbone interact. energy: -0.053
local terms energy: -80.378113
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -23.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -236.676299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.676299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.676299 (E_RNA)
where:
Base-Base interactions energy: -162.715
where: short stacking energy: -82.917
Base-Backbone interact. energy: -0.001
local terms energy: -73.959525
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -22.422
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: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -224.618534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.618534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.618534 (E_RNA)
where:
Base-Base interactions energy: -147.456
where: short stacking energy: -77.253
Base-Backbone interact. energy: -0.003
local terms energy: -77.159634
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -21.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -210.257162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.257162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.257162 (E_RNA)
where:
Base-Base interactions energy: -134.271
where: short stacking energy: -64.187
Base-Backbone interact. energy: -0.018
local terms energy: -75.968033
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -216.079179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.079179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.079179 (E_RNA)
where:
Base-Base interactions energy: -144.058
where: short stacking energy: -72.311
Base-Backbone interact. energy: -0.707
local terms energy: -71.313455
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -180.958530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.958530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.958530 (E_RNA)
where:
Base-Base interactions energy: -115.131
where: short stacking energy: -61.279
Base-Backbone interact. energy: -0.107
local terms energy: -65.719727
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -177.908250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.908250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.908250 (E_RNA)
where:
Base-Base interactions energy: -113.372
where: short stacking energy: -54.057
Base-Backbone interact. energy: -0.124
local terms energy: -64.412442
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -13.304
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: 8, replica: 2
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -170.417719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.417719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.417719 (E_RNA)
where:
Base-Base interactions energy: -109.479
where: short stacking energy: -61.189
Base-Backbone interact. energy: 0.888
local terms energy: -61.826512
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -10.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -83.318895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.318895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.318895 (E_RNA)
where:
Base-Base interactions energy: -33.886
where: short stacking energy: -29.367
Base-Backbone interact. energy: -0.215
local terms energy: -49.218063
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -79.296494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.296494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.296494 (E_RNA)
where:
Base-Base interactions energy: -32.669
where: short stacking energy: -32.669
Base-Backbone interact. energy: -0.506
local terms energy: -46.121502
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -8.901
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: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -233.466089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.466089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.466089 (E_RNA)
where:
Base-Base interactions energy: -158.576
where: short stacking energy: -74.667
Base-Backbone interact. energy: -0.003
local terms energy: -74.887390
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -237.099561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.099561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.099561 (E_RNA)
where:
Base-Base interactions energy: -160.735
where: short stacking energy: -82.138
Base-Backbone interact. energy: -0.026
local terms energy: -76.338222
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -24.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -226.348094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.348094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.348094 (E_RNA)
where:
Base-Base interactions energy: -148.533
where: short stacking energy: -75.559
Base-Backbone interact. energy: -0.056
local terms energy: -77.758828
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -209.443981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.443981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.443981 (E_RNA)
where:
Base-Base interactions energy: -137.050
where: short stacking energy: -63.410
Base-Backbone interact. energy: -0.052
local terms energy: -72.341356
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -20.370
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: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -197.581175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.581175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.581175 (E_RNA)
where:
Base-Base interactions energy: -134.763
where: short stacking energy: -53.349
Base-Backbone interact. energy: -0.786
local terms energy: -62.032069
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -7.486
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: 6, replica: 7
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -182.633433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.633433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.633433 (E_RNA)
where:
Base-Base interactions energy: -117.423
where: short stacking energy: -60.315
Base-Backbone interact. energy: -0.535
local terms energy: -64.674820
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -15.273
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: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -189.846102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.846102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.846102 (E_RNA)
where:
Base-Base interactions energy: -128.961
where: short stacking energy: -60.168
Base-Backbone interact. energy: -0.231
local terms energy: -60.653480
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -10.417
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -13.159
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: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -173.584565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.584565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.584565 (E_RNA)
where:
Base-Base interactions energy: -119.179
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.106
local terms energy: -54.299854
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -80.781379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.781379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.781379 (E_RNA)
where:
Base-Base interactions energy: -33.277
where: short stacking energy: -32.981
Base-Backbone interact. energy: -0.040
local terms energy: -47.465109
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -96.011625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.011625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.011625 (E_RNA)
where:
Base-Base interactions energy: -48.485
where: short stacking energy: -36.202
Base-Backbone interact. energy: -0.386
local terms energy: -47.140598
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: 1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -235.721604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.721604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.721604 (E_RNA)
where:
Base-Base interactions energy: -156.843
where: short stacking energy: -78.779
Base-Backbone interact. energy: -0.001
local terms energy: -78.878140
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -22.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -230.067790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.067790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.067790 (E_RNA)
where:
Base-Base interactions energy: -158.177
where: short stacking energy: -81.996
Base-Backbone interact. energy: -0.023
local terms energy: -71.867855
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -232.759135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.759135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.759135 (E_RNA)
where:
Base-Base interactions energy: -151.972
where: short stacking energy: -73.761
Base-Backbone interact. energy: -0.148
local terms energy: -80.639502
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -204.067598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.067598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.067598 (E_RNA)
where:
Base-Base interactions energy: -127.079
where: short stacking energy: -75.809
Base-Backbone interact. energy: -0.029
local terms energy: -76.959863
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -205.255572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.255572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.255572 (E_RNA)
where:
Base-Base interactions energy: -136.504
where: short stacking energy: -73.741
Base-Backbone interact. energy: -0.057
local terms energy: -68.694530
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -10.098
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: 6, replica: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -197.682844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.682844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.682844 (E_RNA)
where:
Base-Base interactions energy: -132.922
where: short stacking energy: -68.533
Base-Backbone interact. energy: -1.392
local terms energy: -63.368264
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -16.882
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: 7, replica: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -158.999875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.999875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.999875 (E_RNA)
where:
Base-Base interactions energy: -104.631
where: short stacking energy: -45.505
Base-Backbone interact. energy: -0.221
local terms energy: -54.147670
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -191.370961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.370961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.370961 (E_RNA)
where:
Base-Base interactions energy: -123.114
where: short stacking energy: -60.397
Base-Backbone interact. energy: -0.006
local terms energy: -68.251309
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -10.620
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: 9, replica: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -93.838212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.838212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.838212 (E_RNA)
where:
Base-Base interactions energy: -47.301
where: short stacking energy: -47.301
Base-Backbone interact. energy: -0.155
local terms energy: -46.382001
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -4.790
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -91.130673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.130673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.130673 (E_RNA)
where:
Base-Base interactions energy: -36.383
where: short stacking energy: -25.869
Base-Backbone interact. energy: -1.031
local terms energy: -53.716430
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -7.649
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: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -236.302513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.302513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.302513 (E_RNA)
where:
Base-Base interactions energy: -159.050
where: short stacking energy: -82.664
Base-Backbone interact. energy: -0.009
local terms energy: -77.243436
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -19.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -222.738711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.738711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.738711 (E_RNA)
where:
Base-Base interactions energy: -142.602
where: short stacking energy: -75.837
Base-Backbone interact. energy: -0.037
local terms energy: -80.099604
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -21.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -208.063414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.063414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.063414 (E_RNA)
where:
Base-Base interactions energy: -134.267
where: short stacking energy: -66.976
Base-Backbone interact. energy: -0.463
local terms energy: -73.333008
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -17.049
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: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -222.319192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.319192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.319192 (E_RNA)
where:
Base-Base interactions energy: -147.234
where: short stacking energy: -75.892
Base-Backbone interact. energy: -0.041
local terms energy: -75.043955
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -197.096995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.096995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.096995 (E_RNA)
where:
Base-Base interactions energy: -125.303
where: short stacking energy: -62.426
Base-Backbone interact. energy: -0.037
local terms energy: -71.757123
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -219.672746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.672746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.672746 (E_RNA)
where:
Base-Base interactions energy: -147.035
where: short stacking energy: -70.272
Base-Backbone interact. energy: -0.009
local terms energy: -72.629018
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -22.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -170.791837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.791837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.791837 (E_RNA)
where:
Base-Base interactions energy: -108.341
where: short stacking energy: -56.146
Base-Backbone interact. energy: -0.108
local terms energy: -62.343494
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -12.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -169.262423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.262423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.262423 (E_RNA)
where:
Base-Base interactions energy: -113.917
where: short stacking energy: -58.128
Base-Backbone interact. energy: -1.185
local terms energy: -54.160318
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -8.838
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: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -106.986291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.986291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.986291 (E_RNA)
where:
Base-Base interactions energy: -48.729
where: short stacking energy: -46.964
Base-Backbone interact. energy: -0.730
local terms energy: -57.527504
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -3.482
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -83.754062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.754062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.754062 (E_RNA)
where:
Base-Base interactions energy: -35.664
where: short stacking energy: -30.836
Base-Backbone interact. energy: -1.728
local terms energy: -46.361693
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: 0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -241.298214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.298214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.298214 (E_RNA)
where:
Base-Base interactions energy: -167.010
where: short stacking energy: -83.509
Base-Backbone interact. energy: -0.280
local terms energy: -74.008057
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -232.763953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.763953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.763953 (E_RNA)
where:
Base-Base interactions energy: -155.126
where: short stacking energy: -82.758
Base-Backbone interact. energy: -0.876
local terms energy: -76.761750
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -186.906349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.906349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.906349 (E_RNA)
where:
Base-Base interactions energy: -120.594
where: short stacking energy: -61.923
Base-Backbone interact. energy: -0.023
local terms energy: -66.289390
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -9.815
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: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -216.771040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.771040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.771040 (E_RNA)
where:
Base-Base interactions energy: -142.916
where: short stacking energy: -69.040
Base-Backbone interact. energy: -1.297
local terms energy: -72.558366
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -227.248603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.248603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.248603 (E_RNA)
where:
Base-Base interactions energy: -149.466
where: short stacking energy: -78.257
Base-Backbone interact. energy: -0.001
local terms energy: -77.781712
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -13.388
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: 6, replica: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -177.243623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.243623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.243623 (E_RNA)
where:
Base-Base interactions energy: -110.973
where: short stacking energy: -57.314
Base-Backbone interact. energy: -0.104
local terms energy: -66.166865
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -178.811154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.811154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.811154 (E_RNA)
where:
Base-Base interactions energy: -118.137
where: short stacking energy: -55.094
Base-Backbone interact. energy: -0.451
local terms energy: -60.223450
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -11.212
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: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -158.649884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.649884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.649884 (E_RNA)
where:
Base-Base interactions energy: -106.538
where: short stacking energy: -48.870
Base-Backbone interact. energy: -0.040
local terms energy: -52.071691
where:
bonds (distance) C4'-P energy: -7.300
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -6.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -95.181390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.181390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.181390 (E_RNA)
where:
Base-Base interactions energy: -52.035
where: short stacking energy: -41.571
Base-Backbone interact. energy: 0.152
local terms energy: -43.298173
where:
bonds (distance) C4'-P energy: -6.408
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -4.958
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: 473
Temperature: 1.350000
Total energy: -82.009223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.009223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.009223 (E_RNA)
where:
Base-Base interactions energy: -36.865
where: short stacking energy: -20.270
Base-Backbone interact. energy: 2.066
local terms energy: -47.210146
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -239.519378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.519378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.519378 (E_RNA)
where:
Base-Base interactions energy: -157.983
where: short stacking energy: -84.975
Base-Backbone interact. energy: -0.043
local terms energy: -81.493768
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -228.308552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.308552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.308552 (E_RNA)
where:
Base-Base interactions energy: -154.244
where: short stacking energy: -76.981
Base-Backbone interact. energy: -0.284
local terms energy: -73.780722
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -11.062
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: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -207.509800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.509800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.509800 (E_RNA)
where:
Base-Base interactions energy: -141.677
where: short stacking energy: -64.445
Base-Backbone interact. energy: 0.387
local terms energy: -66.219579
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -11.673
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: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -201.136730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.136730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.136730 (E_RNA)
where:
Base-Base interactions energy: -132.162
where: short stacking energy: -59.158
Base-Backbone interact. energy: -0.265
local terms energy: -68.709543
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -8.754
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: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -209.294206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.294206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.294206 (E_RNA)
where:
Base-Base interactions energy: -131.508
where: short stacking energy: -62.242
Base-Backbone interact. energy: -0.641
local terms energy: -77.145158
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -14.360
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: 1
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -170.691093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.691093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.691093 (E_RNA)
where:
Base-Base interactions energy: -110.624
where: short stacking energy: -60.141
Base-Backbone interact. energy: -0.548
local terms energy: -59.519163
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -9.411
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -11.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -174.496387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.496387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.496387 (E_RNA)
where:
Base-Base interactions energy: -114.395
where: short stacking energy: -62.253
Base-Backbone interact. energy: -0.034
local terms energy: -60.067603
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -9.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -164.351885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.351885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.351885 (E_RNA)
where:
Base-Base interactions energy: -109.439
where: short stacking energy: -53.474
Base-Backbone interact. energy: -0.181
local terms energy: -54.731140
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -9.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -92.093798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.093798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.093798 (E_RNA)
where:
Base-Base interactions energy: -43.867
where: short stacking energy: -29.525
Base-Backbone interact. energy: -0.409
local terms energy: -47.818026
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -5.513
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -76.354177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.354177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.354177 (E_RNA)
where:
Base-Base interactions energy: -35.719
where: short stacking energy: -31.104
Base-Backbone interact. energy: -0.144
local terms energy: -40.490784
where:
bonds (distance) C4'-P energy: -4.065
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -234.514614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.514614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.514614 (E_RNA)
where:
Base-Base interactions energy: -155.971
where: short stacking energy: -82.366
Base-Backbone interact. energy: -0.007
local terms energy: -78.537000
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -19.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -231.897601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.897601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.897601 (E_RNA)
where:
Base-Base interactions energy: -153.212
where: short stacking energy: -75.052
Base-Backbone interact. energy: -0.000
local terms energy: -78.685132
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -23.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -218.701928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.701928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.701928 (E_RNA)
where:
Base-Base interactions energy: -142.653
where: short stacking energy: -73.860
Base-Backbone interact. energy: -0.004
local terms energy: -76.044283
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -19.582
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: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -222.740161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.740161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.740161 (E_RNA)
where:
Base-Base interactions energy: -145.252
where: short stacking energy: -74.429
Base-Backbone interact. energy: -0.223
local terms energy: -77.265077
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -10.863
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: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -193.959335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.959335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.959335 (E_RNA)
where:
Base-Base interactions energy: -125.632
where: short stacking energy: -67.597
Base-Backbone interact. energy: 0.693
local terms energy: -69.019790
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -12.676
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: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -191.615631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.615631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.615631 (E_RNA)
where:
Base-Base interactions energy: -122.182
where: short stacking energy: -65.612
Base-Backbone interact. energy: -0.169
local terms energy: -69.264877
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -16.031
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: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -178.223867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.223867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.223867 (E_RNA)
where:
Base-Base interactions energy: -111.933
where: short stacking energy: -60.015
Base-Backbone interact. energy: 0.248
local terms energy: -66.539121
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -14.737
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: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -178.524117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.524117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.524117 (E_RNA)
where:
Base-Base interactions energy: -115.930
where: short stacking energy: -56.048
Base-Backbone interact. energy: -1.062
local terms energy: -61.531855
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -11.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -95.498050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.498050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.498050 (E_RNA)
where:
Base-Base interactions energy: -40.749
where: short stacking energy: -40.749
Base-Backbone interact. energy: -0.006
local terms energy: -54.743704
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -3.410
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -78.946489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.946489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.946489 (E_RNA)
where:
Base-Base interactions energy: -32.027
where: short stacking energy: -29.614
Base-Backbone interact. energy: -0.149
local terms energy: -46.770086
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -3.334
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -229.902160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.902160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.902160 (E_RNA)
where:
Base-Base interactions energy: -148.921
where: short stacking energy: -74.590
Base-Backbone interact. energy: -0.031
local terms energy: -80.950483
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -232.834919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.834919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.834919 (E_RNA)
where:
Base-Base interactions energy: -156.067
where: short stacking energy: -74.684
Base-Backbone interact. energy: -0.081
local terms energy: -76.686701
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -224.630248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.630248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.630248 (E_RNA)
where:
Base-Base interactions energy: -151.400
where: short stacking energy: -81.076
Base-Backbone interact. energy: -0.002
local terms energy: -73.228656
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -18.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -216.655844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.655844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.655844 (E_RNA)
where:
Base-Base interactions energy: -134.112
where: short stacking energy: -64.336
Base-Backbone interact. energy: 0.076
local terms energy: -82.619754
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -189.024471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.024471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.024471 (E_RNA)
where:
Base-Base interactions energy: -117.077
where: short stacking energy: -60.185
Base-Backbone interact. energy: -0.216
local terms energy: -71.731999
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -184.281554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.281554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.281554 (E_RNA)
where:
Base-Base interactions energy: -120.856
where: short stacking energy: -68.442
Base-Backbone interact. energy: -0.446
local terms energy: -62.979253
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -2.038
tors. eta vs tors. theta energy: -16.633
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: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -180.852201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.852201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.852201 (E_RNA)
where:
Base-Base interactions energy: -110.117
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.045
local terms energy: -70.689499
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -169.320264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.320264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.320264 (E_RNA)
where:
Base-Base interactions energy: -108.869
where: short stacking energy: -59.058
Base-Backbone interact. energy: 1.164
local terms energy: -61.615696
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -14.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -80.264338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.264338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.264338 (E_RNA)
where:
Base-Base interactions energy: -26.518
where: short stacking energy: -27.018
Base-Backbone interact. energy: 0.373
local terms energy: -54.118722
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -10.427
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: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -88.109582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.109582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.109582 (E_RNA)
where:
Base-Base interactions energy: -40.303
where: short stacking energy: -40.303
Base-Backbone interact. energy: -0.409
local terms energy: -47.397981
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -8.619
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -8.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -231.456902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.456902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.456902 (E_RNA)
where:
Base-Base interactions energy: -152.038
where: short stacking energy: -78.866
Base-Backbone interact. energy: -0.710
local terms energy: -78.708901
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -225.716362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.716362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.716362 (E_RNA)
where:
Base-Base interactions energy: -150.198
where: short stacking energy: -72.914
Base-Backbone interact. energy: -0.077
local terms energy: -75.441806
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -19.081
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: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -231.174780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.174780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.174780 (E_RNA)
where:
Base-Base interactions energy: -164.453
where: short stacking energy: -73.977
Base-Backbone interact. energy: -0.587
local terms energy: -66.134253
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -208.351192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.351192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.351192 (E_RNA)
where:
Base-Base interactions energy: -139.990
where: short stacking energy: -72.924
Base-Backbone interact. energy: -0.248
local terms energy: -68.113879
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -10.142
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: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -212.321725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.321725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.321725 (E_RNA)
where:
Base-Base interactions energy: -138.872
where: short stacking energy: -68.787
Base-Backbone interact. energy: -0.055
local terms energy: -73.395001
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -187.863516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.863516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.863516 (E_RNA)
where:
Base-Base interactions energy: -114.213
where: short stacking energy: -51.925
Base-Backbone interact. energy: -0.019
local terms energy: -73.631610
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -11.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -171.884408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.884408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.884408 (E_RNA)
where:
Base-Base interactions energy: -113.951
where: short stacking energy: -57.992
Base-Backbone interact. energy: -0.332
local terms energy: -57.601397
where:
bonds (distance) C4'-P energy: -7.487
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -93.180772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.180772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.180772 (E_RNA)
where:
Base-Base interactions energy: -40.808
where: short stacking energy: -40.808
Base-Backbone interact. energy: -0.212
local terms energy: -52.160559
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -158.662547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.662547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.662547 (E_RNA)
where:
Base-Base interactions energy: -101.197
where: short stacking energy: -51.113
Base-Backbone interact. energy: -0.048
local terms energy: -57.417966
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -4.776
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: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -86.756123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.756123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.756123 (E_RNA)
where:
Base-Base interactions energy: -23.952
where: short stacking energy: -23.952
Base-Backbone interact. energy: -0.066
local terms energy: -62.738299
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -238.823760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.823760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.823760 (E_RNA)
where:
Base-Base interactions energy: -159.863
where: short stacking energy: -83.209
Base-Backbone interact. energy: -0.892
local terms energy: -78.068309
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -21.637
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: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -223.907085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.907085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.907085 (E_RNA)
where:
Base-Base interactions energy: -151.129
where: short stacking energy: -76.647
Base-Backbone interact. energy: 0.659
local terms energy: -73.437645
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -9.807
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: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -232.280104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.280104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.280104 (E_RNA)
where:
Base-Base interactions energy: -155.988
where: short stacking energy: -78.842
Base-Backbone interact. energy: -0.182
local terms energy: -76.110358
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -208.887608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.887608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.887608 (E_RNA)
where:
Base-Base interactions energy: -130.622
where: short stacking energy: -77.078
Base-Backbone interact. energy: 0.003
local terms energy: -78.268774
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -212.977411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.977411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.977411 (E_RNA)
where:
Base-Base interactions energy: -143.371
where: short stacking energy: -70.464
Base-Backbone interact. energy: -0.030
local terms energy: -69.576358
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -20.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -178.180986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.180986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.180986 (E_RNA)
where:
Base-Base interactions energy: -115.925
where: short stacking energy: -54.998
Base-Backbone interact. energy: -0.212
local terms energy: -62.043315
where:
bonds (distance) C4'-P energy: -7.533
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -15.473
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: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -181.930338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.930338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.930338 (E_RNA)
where:
Base-Base interactions energy: -119.268
where: short stacking energy: -55.821
Base-Backbone interact. energy: -0.006
local terms energy: -62.656781
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -97.666195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.666195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.666195 (E_RNA)
where:
Base-Base interactions energy: -48.357
where: short stacking energy: -47.460
Base-Backbone interact. energy: -0.968
local terms energy: -48.341347
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -5.427
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: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -172.151595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.151595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.151595 (E_RNA)
where:
Base-Base interactions energy: -110.430
where: short stacking energy: -47.292
Base-Backbone interact. energy: -0.005
local terms energy: -61.716318
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -11.825
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: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -91.525976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.525976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.525976 (E_RNA)
where:
Base-Base interactions energy: -48.299
where: short stacking energy: -39.903
Base-Backbone interact. energy: 0.144
local terms energy: -43.370104
where:
bonds (distance) C4'-P energy: -4.693
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -236.330105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.330105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.330105 (E_RNA)
where:
Base-Base interactions energy: -156.587
where: short stacking energy: -75.109
Base-Backbone interact. energy: -0.297
local terms energy: -79.445332
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -21.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -229.717692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.717692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.717692 (E_RNA)
where:
Base-Base interactions energy: -151.712
where: short stacking energy: -72.612
Base-Backbone interact. energy: -0.005
local terms energy: -78.001051
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -16.185
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: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -222.855369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.855369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.855369 (E_RNA)
where:
Base-Base interactions energy: -147.412
where: short stacking energy: -78.756
Base-Backbone interact. energy: -0.013
local terms energy: -75.430276
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -222.159141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.159141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.159141 (E_RNA)
where:
Base-Base interactions energy: -158.217
where: short stacking energy: -75.016
Base-Backbone interact. energy: 0.031
local terms energy: -63.973797
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -200.570489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.570489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.570489 (E_RNA)
where:
Base-Base interactions energy: -131.198
where: short stacking energy: -73.283
Base-Backbone interact. energy: -1.430
local terms energy: -67.942915
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -169.705795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.705795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.705795 (E_RNA)
where:
Base-Base interactions energy: -116.904
where: short stacking energy: -62.838
Base-Backbone interact. energy: -0.232
local terms energy: -52.569803
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -183.165256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.165256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.165256 (E_RNA)
where:
Base-Base interactions energy: -114.237
where: short stacking energy: -65.833
Base-Backbone interact. energy: 1.223
local terms energy: -70.150895
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -7.401
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: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -194.806761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.806761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.806761 (E_RNA)
where:
Base-Base interactions energy: -131.123
where: short stacking energy: -68.608
Base-Backbone interact. energy: -0.152
local terms energy: -63.531584
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -98.478641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.478641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.478641 (E_RNA)
where:
Base-Base interactions energy: -51.486
where: short stacking energy: -40.659
Base-Backbone interact. energy: -0.725
local terms energy: -46.268019
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -8.433
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -95.647798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.647798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.647798 (E_RNA)
where:
Base-Base interactions energy: -46.245
where: short stacking energy: -32.968
Base-Backbone interact. energy: -1.171
local terms energy: -48.231978
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -8.540
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -7.794
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: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -237.163405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.163405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.163405 (E_RNA)
where:
Base-Base interactions energy: -158.160
where: short stacking energy: -83.487
Base-Backbone interact. energy: 0.267
local terms energy: -79.270467
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -239.558242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.558242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.558242 (E_RNA)
where:
Base-Base interactions energy: -159.725
where: short stacking energy: -82.597
Base-Backbone interact. energy: 0.174
local terms energy: -80.007349
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -219.993824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.993824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.993824 (E_RNA)
where:
Base-Base interactions energy: -141.677
where: short stacking energy: -72.682
Base-Backbone interact. energy: 0.023
local terms energy: -78.340680
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -216.229391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.229391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.229391 (E_RNA)
where:
Base-Base interactions energy: -141.313
where: short stacking energy: -74.510
Base-Backbone interact. energy: -0.505
local terms energy: -74.411778
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -20.285
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: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -207.977332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.977332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.977332 (E_RNA)
where:
Base-Base interactions energy: -138.036
where: short stacking energy: -71.589
Base-Backbone interact. energy: -0.004
local terms energy: -69.936481
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -194.226048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.226048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.226048 (E_RNA)
where:
Base-Base interactions energy: -126.487
where: short stacking energy: -64.864
Base-Backbone interact. energy: 0.256
local terms energy: -67.995843
where:
bonds (distance) C4'-P energy: -5.472
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -12.412
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: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -165.135116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.135116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.135116 (E_RNA)
where:
Base-Base interactions energy: -101.674
where: short stacking energy: -48.115
Base-Backbone interact. energy: -0.024
local terms energy: -63.436937
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -6.343
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: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -166.528167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.528167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.528167 (E_RNA)
where:
Base-Base interactions energy: -110.543
where: short stacking energy: -52.657
Base-Backbone interact. energy: -0.069
local terms energy: -55.916608
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -13.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -87.144974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.144974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.144974 (E_RNA)
where:
Base-Base interactions energy: -38.092
where: short stacking energy: -35.038
Base-Backbone interact. energy: -0.097
local terms energy: -48.956065
where:
bonds (distance) C4'-P energy: -2.532
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -5.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -81.492749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.492749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.492749 (E_RNA)
where:
Base-Base interactions energy: -33.314
where: short stacking energy: -33.314
Base-Backbone interact. energy: -0.202
local terms energy: -47.976491
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -10.561
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -239.777778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.777778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.777778 (E_RNA)
where:
Base-Base interactions energy: -157.965
where: short stacking energy: -81.488
Base-Backbone interact. energy: -0.014
local terms energy: -81.799081
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -11.207
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: 2, replica: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -223.624465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.624465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.624465 (E_RNA)
where:
Base-Base interactions energy: -154.038
where: short stacking energy: -72.807
Base-Backbone interact. energy: -0.023
local terms energy: -69.563555
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -228.786392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.786392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.786392 (E_RNA)
where:
Base-Base interactions energy: -149.621
where: short stacking energy: -76.674
Base-Backbone interact. energy: -0.002
local terms energy: -79.163082
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -211.675952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.675952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.675952 (E_RNA)
where:
Base-Base interactions energy: -136.863
where: short stacking energy: -63.751
Base-Backbone interact. energy: -0.012
local terms energy: -74.801308
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -18.743
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: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -181.980398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.980398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.980398 (E_RNA)
where:
Base-Base interactions energy: -125.554
where: short stacking energy: -62.846
Base-Backbone interact. energy: -0.657
local terms energy: -55.768891
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -10.251
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: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -202.402163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.402163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.402163 (E_RNA)
where:
Base-Base interactions energy: -133.755
where: short stacking energy: -61.440
Base-Backbone interact. energy: 0.494
local terms energy: -69.141402
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -183.940787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.940787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.940787 (E_RNA)
where:
Base-Base interactions energy: -121.291
where: short stacking energy: -56.885
Base-Backbone interact. energy: 0.215
local terms energy: -62.863949
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -4.205
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: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -175.898575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.898575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.898575 (E_RNA)
where:
Base-Base interactions energy: -106.297
where: short stacking energy: -53.967
Base-Backbone interact. energy: -0.506
local terms energy: -69.095671
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -15.655
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: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -92.819184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.819184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.819184 (E_RNA)
where:
Base-Base interactions energy: -43.237
where: short stacking energy: -31.884
Base-Backbone interact. energy: 0.262
local terms energy: -49.844382
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -5.977
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -83.362790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.362790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.362790 (E_RNA)
where:
Base-Base interactions energy: -33.751
where: short stacking energy: -33.751
Base-Backbone interact. energy: 1.069
local terms energy: -50.680571
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -5.957
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: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -235.735016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.735016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.735016 (E_RNA)
where:
Base-Base interactions energy: -156.426
where: short stacking energy: -81.986
Base-Backbone interact. energy: -0.009
local terms energy: -79.299627
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -22.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -220.251829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.251829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.251829 (E_RNA)
where:
Base-Base interactions energy: -142.481
where: short stacking energy: -71.155
Base-Backbone interact. energy: -0.152
local terms energy: -77.618836
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -17.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -228.897005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.897005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.897005 (E_RNA)
where:
Base-Base interactions energy: -155.853
where: short stacking energy: -74.341
Base-Backbone interact. energy: 1.050
local terms energy: -74.093660
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -185.222406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.222406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.222406 (E_RNA)
where:
Base-Base interactions energy: -123.310
where: short stacking energy: -67.575
Base-Backbone interact. energy: -0.155
local terms energy: -61.757595
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -15.590
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: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -193.948292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.948292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.948292 (E_RNA)
where:
Base-Base interactions energy: -126.921
where: short stacking energy: -61.902
Base-Backbone interact. energy: -0.146
local terms energy: -66.881434
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -11.932
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: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -175.578508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.578508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.578508 (E_RNA)
where:
Base-Base interactions energy: -116.562
where: short stacking energy: -53.732
Base-Backbone interact. energy: -0.789
local terms energy: -58.227245
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -2.898
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: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -173.556867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.556867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.556867 (E_RNA)
where:
Base-Base interactions energy: -112.780
where: short stacking energy: -56.165
Base-Backbone interact. energy: -0.015
local terms energy: -60.761754
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -13.414
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: 482
Temperature: 1.250000
Total energy: -173.283774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.283774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.283774 (E_RNA)
where:
Base-Base interactions energy: -111.532
where: short stacking energy: -48.242
Base-Backbone interact. energy: -0.268
local terms energy: -61.483784
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -5.010
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: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -108.971772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.971772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.971772 (E_RNA)
where:
Base-Base interactions energy: -58.519
where: short stacking energy: -30.879
Base-Backbone interact. energy: -0.405
local terms energy: -50.047736
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -86.204474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.204474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.204474 (E_RNA)
where:
Base-Base interactions energy: -38.894
where: short stacking energy: -33.477
Base-Backbone interact. energy: -0.080
local terms energy: -47.230599
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -7.629
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -4.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -234.106877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.106877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.106877 (E_RNA)
where:
Base-Base interactions energy: -154.452
where: short stacking energy: -75.637
Base-Backbone interact. energy: 0.024
local terms energy: -79.678363
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -226.157236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.157236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.157236 (E_RNA)
where:
Base-Base interactions energy: -152.062
where: short stacking energy: -75.003
Base-Backbone interact. energy: -0.238
local terms energy: -73.857591
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -206.403333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.403333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.403333 (E_RNA)
where:
Base-Base interactions energy: -136.082
where: short stacking energy: -62.189
Base-Backbone interact. energy: -0.003
local terms energy: -70.318844
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -191.300119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.300119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.300119 (E_RNA)
where:
Base-Base interactions energy: -122.721
where: short stacking energy: -54.074
Base-Backbone interact. energy: -0.698
local terms energy: -67.881116
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -189.533295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.533295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.533295 (E_RNA)
where:
Base-Base interactions energy: -121.309
where: short stacking energy: -62.733
Base-Backbone interact. energy: -0.054
local terms energy: -68.170469
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -187.948407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.948407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.948407 (E_RNA)
where:
Base-Base interactions energy: -118.958
where: short stacking energy: -48.827
Base-Backbone interact. energy: -0.637
local terms energy: -68.353387
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -178.512291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.512291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.512291 (E_RNA)
where:
Base-Base interactions energy: -111.950
where: short stacking energy: -58.078
Base-Backbone interact. energy: 1.533
local terms energy: -68.095369
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -180.908286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.908286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.908286 (E_RNA)
where:
Base-Base interactions energy: -122.549
where: short stacking energy: -58.077
Base-Backbone interact. energy: -0.137
local terms energy: -58.221782
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -12.521
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: 3
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -112.626144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.626144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.626144 (E_RNA)
where:
Base-Base interactions energy: -64.757
where: short stacking energy: -32.527
Base-Backbone interact. energy: -0.414
local terms energy: -47.454549
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -80.308491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.308491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.308491 (E_RNA)
where:
Base-Base interactions energy: -38.283
where: short stacking energy: -34.594
Base-Backbone interact. energy: -0.663
local terms energy: -41.362342
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -6.553
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: 2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -240.207145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.207145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.207145 (E_RNA)
where:
Base-Base interactions energy: -160.455
where: short stacking energy: -75.951
Base-Backbone interact. energy: -0.095
local terms energy: -79.656706
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -22.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -235.094701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.094701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.094701 (E_RNA)
where:
Base-Base interactions energy: -158.542
where: short stacking energy: -83.616
Base-Backbone interact. energy: -1.036
local terms energy: -75.517007
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -221.928144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.928144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.928144 (E_RNA)
where:
Base-Base interactions energy: -146.349
where: short stacking energy: -74.315
Base-Backbone interact. energy: -0.186
local terms energy: -75.393548
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -198.922753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.922753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.922753 (E_RNA)
where:
Base-Base interactions energy: -133.734
where: short stacking energy: -73.637
Base-Backbone interact. energy: -0.047
local terms energy: -65.141238
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -187.048951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.048951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.048951 (E_RNA)
where:
Base-Base interactions energy: -132.461
where: short stacking energy: -53.703
Base-Backbone interact. energy: 0.423
local terms energy: -55.010330
where:
bonds (distance) C4'-P energy: -8.891
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -5.871
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: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -176.255112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.255112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.255112 (E_RNA)
where:
Base-Base interactions energy: -108.275
where: short stacking energy: -49.566
Base-Backbone interact. energy: -0.003
local terms energy: -67.976423
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -208.167540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.167540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.167540 (E_RNA)
where:
Base-Base interactions energy: -138.744
where: short stacking energy: -71.585
Base-Backbone interact. energy: -0.021
local terms energy: -69.402863
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -16.799
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: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -161.958405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.958405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.958405 (E_RNA)
where:
Base-Base interactions energy: -111.948
where: short stacking energy: -59.215
Base-Backbone interact. energy: -0.267
local terms energy: -49.743805
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -7.594
flat angles P-C4'-P energy: -10.373
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: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -82.338902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.338902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.338902 (E_RNA)
where:
Base-Base interactions energy: -36.185
where: short stacking energy: -27.859
Base-Backbone interact. energy: -0.526
local terms energy: -45.628233
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -6.210
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: 484
Temperature: 1.350000
Total energy: -96.626292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.626292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.626292 (E_RNA)
where:
Base-Base interactions energy: -51.685
where: short stacking energy: -38.904
Base-Backbone interact. energy: 0.026
local terms energy: -44.967189
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -8.942
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -237.548504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.548504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.548504 (E_RNA)
where:
Base-Base interactions energy: -156.280
where: short stacking energy: -82.081
Base-Backbone interact. energy: -0.456
local terms energy: -80.812260
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -21.494
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: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -229.410074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.410074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.410074 (E_RNA)
where:
Base-Base interactions energy: -150.586
where: short stacking energy: -71.384
Base-Backbone interact. energy: -0.009
local terms energy: -78.814829
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -218.210106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.210106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.210106 (E_RNA)
where:
Base-Base interactions energy: -146.448
where: short stacking energy: -77.351
Base-Backbone interact. energy: -0.479
local terms energy: -71.283812
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -201.929993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.929993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.929993 (E_RNA)
where:
Base-Base interactions energy: -127.087
where: short stacking energy: -72.196
Base-Backbone interact. energy: -0.959
local terms energy: -73.884262
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -186.702459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.702459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.702459 (E_RNA)
where:
Base-Base interactions energy: -120.643
where: short stacking energy: -55.338
Base-Backbone interact. energy: -3.316
local terms energy: -62.743926
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -10.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -171.892820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.892820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.892820 (E_RNA)
where:
Base-Base interactions energy: -115.624
where: short stacking energy: -60.793
Base-Backbone interact. energy: -0.492
local terms energy: -55.776825
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -7.823
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -184.010922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.010922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.010922 (E_RNA)
where:
Base-Base interactions energy: -113.231
where: short stacking energy: -58.193
Base-Backbone interact. energy: -0.653
local terms energy: -70.127581
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -172.302515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.302515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.302515 (E_RNA)
where:
Base-Base interactions energy: -108.271
where: short stacking energy: -54.974
Base-Backbone interact. energy: -0.056
local terms energy: -63.976147
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -11.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -91.781759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.781759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.781759 (E_RNA)
where:
Base-Base interactions energy: -43.257
where: short stacking energy: -32.282
Base-Backbone interact. energy: -0.222
local terms energy: -48.303126
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -85.506427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.506427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.506427 (E_RNA)
where:
Base-Base interactions energy: -43.929
where: short stacking energy: -43.929
Base-Backbone interact. energy: -0.006
local terms energy: -41.571445
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: 2.023
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -236.929692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.929692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.929692 (E_RNA)
where:
Base-Base interactions energy: -158.340
where: short stacking energy: -82.195
Base-Backbone interact. energy: 0.913
local terms energy: -79.503354
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -229.404999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.404999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.404999 (E_RNA)
where:
Base-Base interactions energy: -151.847
where: short stacking energy: -74.778
Base-Backbone interact. energy: -0.010
local terms energy: -77.547850
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -19.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -232.107933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.107933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.107933 (E_RNA)
where:
Base-Base interactions energy: -157.104
where: short stacking energy: -75.887
Base-Backbone interact. energy: -0.001
local terms energy: -75.003026
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -21.015
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: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -192.264979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.264979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.264979 (E_RNA)
where:
Base-Base interactions energy: -124.492
where: short stacking energy: -65.028
Base-Backbone interact. energy: -0.346
local terms energy: -67.426412
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -185.507548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.507548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.507548 (E_RNA)
where:
Base-Base interactions energy: -115.373
where: short stacking energy: -56.300
Base-Backbone interact. energy: 0.596
local terms energy: -70.730464
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -12.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -174.522381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.522381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.522381 (E_RNA)
where:
Base-Base interactions energy: -105.564
where: short stacking energy: -56.532
Base-Backbone interact. energy: -0.496
local terms energy: -68.463039
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -15.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -172.219141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.219141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.219141 (E_RNA)
where:
Base-Base interactions energy: -122.774
where: short stacking energy: -54.767
Base-Backbone interact. energy: -0.562
local terms energy: -48.883376
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -7.962
flat angles P-C4'-P energy: -8.355
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: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -172.351994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.351994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.351994 (E_RNA)
where:
Base-Base interactions energy: -112.869
where: short stacking energy: -52.355
Base-Backbone interact. energy: -0.074
local terms energy: -59.409230
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -11.274
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: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -146.892207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.892207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.892207 (E_RNA)
where:
Base-Base interactions energy: -93.967
where: short stacking energy: -45.271
Base-Backbone interact. energy: -0.216
local terms energy: -52.709047
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -74.879391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.879391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.879391 (E_RNA)
where:
Base-Base interactions energy: -23.248
where: short stacking energy: -23.248
Base-Backbone interact. energy: -0.068
local terms energy: -51.563434
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: 1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -237.680471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.680471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.680471 (E_RNA)
where:
Base-Base interactions energy: -157.637
where: short stacking energy: -76.818
Base-Backbone interact. energy: -0.059
local terms energy: -79.984198
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -20.945
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: 10
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -219.691387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.691387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.691387 (E_RNA)
where:
Base-Base interactions energy: -147.365
where: short stacking energy: -74.257
Base-Backbone interact. energy: -0.039
local terms energy: -72.288139
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -19.526
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: 487
Temperature: 1.000000
Total energy: -235.397181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.397181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.397181 (E_RNA)
where:
Base-Base interactions energy: -158.126
where: short stacking energy: -79.970
Base-Backbone interact. energy: -0.663
local terms energy: -76.608686
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -21.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -199.100074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.100074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.100074 (E_RNA)
where:
Base-Base interactions energy: -135.062
where: short stacking energy: -68.796
Base-Backbone interact. energy: -0.106
local terms energy: -63.932645
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -205.736194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.736194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.736194 (E_RNA)
where:
Base-Base interactions energy: -138.658
where: short stacking energy: -66.377
Base-Backbone interact. energy: -0.110
local terms energy: -66.968051
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -19.057
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: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -183.694235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.694235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.694235 (E_RNA)
where:
Base-Base interactions energy: -116.978
where: short stacking energy: -59.469
Base-Backbone interact. energy: -0.176
local terms energy: -66.539961
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -175.261605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.261605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.261605 (E_RNA)
where:
Base-Base interactions energy: -116.410
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.352
local terms energy: -58.499488
where:
bonds (distance) C4'-P energy: -8.145
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -11.141
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: 8, replica: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -179.285176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.285176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.285176 (E_RNA)
where:
Base-Base interactions energy: -124.144
where: short stacking energy: -59.650
Base-Backbone interact. energy: -0.053
local terms energy: -55.088286
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -7.321
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: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -174.430112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.430112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.430112 (E_RNA)
where:
Base-Base interactions energy: -115.233
where: short stacking energy: -61.884
Base-Backbone interact. energy: -0.145
local terms energy: -59.051775
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -9.885
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: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -87.963098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.963098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.963098 (E_RNA)
where:
Base-Base interactions energy: -41.531
where: short stacking energy: -26.256
Base-Backbone interact. energy: -0.049
local terms energy: -46.383249
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -6.120
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -224.187717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.187717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.187717 (E_RNA)
where:
Base-Base interactions energy: -148.319
where: short stacking energy: -68.629
Base-Backbone interact. energy: -0.143
local terms energy: -75.726219
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -17.371
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: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -237.814782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.814782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.814782 (E_RNA)
where:
Base-Base interactions energy: -157.221
where: short stacking energy: -84.541
Base-Backbone interact. energy: -0.000
local terms energy: -80.593802
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -22.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -229.776516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.776516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.776516 (E_RNA)
where:
Base-Base interactions energy: -152.190
where: short stacking energy: -79.635
Base-Backbone interact. energy: -0.747
local terms energy: -76.839714
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -10.293
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: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -184.237382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.237382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.237382 (E_RNA)
where:
Base-Base interactions energy: -116.147
where: short stacking energy: -62.212
Base-Backbone interact. energy: -0.171
local terms energy: -67.919474
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -12.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -201.532560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.532560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.532560 (E_RNA)
where:
Base-Base interactions energy: -130.209
where: short stacking energy: -76.169
Base-Backbone interact. energy: -0.081
local terms energy: -71.242232
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -185.621507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.621507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.621507 (E_RNA)
where:
Base-Base interactions energy: -119.734
where: short stacking energy: -66.953
Base-Backbone interact. energy: -0.108
local terms energy: -65.779804
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -177.770256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.770256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.770256 (E_RNA)
where:
Base-Base interactions energy: -119.026
where: short stacking energy: -61.933
Base-Backbone interact. energy: -0.118
local terms energy: -58.625377
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -8.999
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: 8, replica: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -170.838034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.838034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.838034 (E_RNA)
where:
Base-Base interactions energy: -109.560
where: short stacking energy: -56.956
Base-Backbone interact. energy: -0.001
local terms energy: -61.277373
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -86.385532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.385532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.385532 (E_RNA)
where:
Base-Base interactions energy: -37.034
where: short stacking energy: -35.959
Base-Backbone interact. energy: -0.026
local terms energy: -49.325281
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -134.729567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.729567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.729567 (E_RNA)
where:
Base-Base interactions energy: -94.051
where: short stacking energy: -44.239
Base-Backbone interact. energy: -0.898
local terms energy: -39.780200
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -6.141
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -2.345
tors. eta vs tors. theta energy: -9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -222.209224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.209224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.209224 (E_RNA)
where:
Base-Base interactions energy: -146.724
where: short stacking energy: -66.286
Base-Backbone interact. energy: -0.303
local terms energy: -75.181942
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -231.922345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.922345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.922345 (E_RNA)
where:
Base-Base interactions energy: -148.508
where: short stacking energy: -81.328
Base-Backbone interact. energy: -0.313
local terms energy: -83.101298
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -22.276
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: 3, replica: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -230.864254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.864254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.864254 (E_RNA)
where:
Base-Base interactions energy: -152.393
where: short stacking energy: -78.606
Base-Backbone interact. energy: -0.009
local terms energy: -78.462435
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -219.076568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.076568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.076568 (E_RNA)
where:
Base-Base interactions energy: -144.228
where: short stacking energy: -75.021
Base-Backbone interact. energy: -0.492
local terms energy: -74.356971
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -19.725
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: 2
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -189.594873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.594873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.594873 (E_RNA)
where:
Base-Base interactions energy: -120.913
where: short stacking energy: -64.953
Base-Backbone interact. energy: -0.748
local terms energy: -67.934043
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -13.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -195.099606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.099606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.099606 (E_RNA)
where:
Base-Base interactions energy: -129.244
where: short stacking energy: -61.857
Base-Backbone interact. energy: -0.692
local terms energy: -65.163465
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -14.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -183.928237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.928237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.928237 (E_RNA)
where:
Base-Base interactions energy: -123.954
where: short stacking energy: -62.954
Base-Backbone interact. energy: -0.486
local terms energy: -59.488085
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -17.405
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: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -184.731365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.731365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.731365 (E_RNA)
where:
Base-Base interactions energy: -121.946
where: short stacking energy: -64.945
Base-Backbone interact. energy: -0.168
local terms energy: -62.617264
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -14.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -95.427243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.427243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.427243 (E_RNA)
where:
Base-Base interactions energy: -39.738
where: short stacking energy: -35.292
Base-Backbone interact. energy: -0.134
local terms energy: -55.555176
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: -6.344
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: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -97.648109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.648109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.648109 (E_RNA)
where:
Base-Base interactions energy: -47.544
where: short stacking energy: -38.469
Base-Backbone interact. energy: -0.396
local terms energy: -49.707809
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -10.198
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: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -237.072706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.072706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.072706 (E_RNA)
where:
Base-Base interactions energy: -157.215
where: short stacking energy: -78.938
Base-Backbone interact. energy: 1.016
local terms energy: -80.873744
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -215.995021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.995021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.995021 (E_RNA)
where:
Base-Base interactions energy: -140.363
where: short stacking energy: -69.776
Base-Backbone interact. energy: -0.249
local terms energy: -75.382620
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -216.578141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.578141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.578141 (E_RNA)
where:
Base-Base interactions energy: -143.322
where: short stacking energy: -75.228
Base-Backbone interact. energy: -0.014
local terms energy: -73.242699
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -21.400
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: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -224.761312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.761312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.761312 (E_RNA)
where:
Base-Base interactions energy: -149.314
where: short stacking energy: -75.262
Base-Backbone interact. energy: -0.555
local terms energy: -74.892747
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -204.683777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.683777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.683777 (E_RNA)
where:
Base-Base interactions energy: -136.760
where: short stacking energy: -66.732
Base-Backbone interact. energy: -0.204
local terms energy: -67.719923
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -188.192018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.192018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.192018 (E_RNA)
where:
Base-Base interactions energy: -127.561
where: short stacking energy: -63.207
Base-Backbone interact. energy: 0.542
local terms energy: -61.173662
where:
bonds (distance) C4'-P energy: -5.154
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -13.641
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: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -180.590592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.590592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.590592 (E_RNA)
where:
Base-Base interactions energy: -121.022
where: short stacking energy: -58.611
Base-Backbone interact. energy: -0.357
local terms energy: -59.211228
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -182.644953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.644953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.644953 (E_RNA)
where:
Base-Base interactions energy: -127.974
where: short stacking energy: -62.060
Base-Backbone interact. energy: -0.102
local terms energy: -54.569524
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -83.978316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.978316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.978316 (E_RNA)
where:
Base-Base interactions energy: -39.216
where: short stacking energy: -35.118
Base-Backbone interact. energy: 1.751
local terms energy: -46.512587
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -8.030
flat angles P-C4'-P energy: -8.270
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: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -84.148768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.148768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.148768 (E_RNA)
where:
Base-Base interactions energy: -37.869
where: short stacking energy: -37.869
Base-Backbone interact. energy: -0.166
local terms energy: -46.114087
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -3.247
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -241.246953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.246953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.246953 (E_RNA)
where:
Base-Base interactions energy: -162.177
where: short stacking energy: -85.609
Base-Backbone interact. energy: -0.102
local terms energy: -78.967770
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -20.935
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: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -215.624051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.624051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.624051 (E_RNA)
where:
Base-Base interactions energy: -140.439
where: short stacking energy: -70.585
Base-Backbone interact. energy: 0.187
local terms energy: -75.371680
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -10.321
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: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -216.070731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.070731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.070731 (E_RNA)
where:
Base-Base interactions energy: -149.212
where: short stacking energy: -64.587
Base-Backbone interact. energy: -1.655
local terms energy: -65.203983
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -220.453809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.453809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.453809 (E_RNA)
where:
Base-Base interactions energy: -147.708
where: short stacking energy: -74.362
Base-Backbone interact. energy: 0.077
local terms energy: -72.821887
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -18.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -194.023133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.023133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.023133 (E_RNA)
where:
Base-Base interactions energy: -126.292
where: short stacking energy: -63.979
Base-Backbone interact. energy: -0.034
local terms energy: -67.696771
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -202.559001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.559001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.559001 (E_RNA)
where:
Base-Base interactions energy: -129.093
where: short stacking energy: -62.523
Base-Backbone interact. energy: 0.442
local terms energy: -73.907668
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -16.850
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: 2
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -193.305122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.305122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.305122 (E_RNA)
where:
Base-Base interactions energy: -131.572
where: short stacking energy: -64.069
Base-Backbone interact. energy: -0.020
local terms energy: -61.713885
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -8.430
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -19.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -185.169529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.169529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.169529 (E_RNA)
where:
Base-Base interactions energy: -117.411
where: short stacking energy: -54.522
Base-Backbone interact. energy: -0.070
local terms energy: -67.688521
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.943
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: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -101.098988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.098988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.098988 (E_RNA)
where:
Base-Base interactions energy: -53.965
where: short stacking energy: -40.363
Base-Backbone interact. energy: -0.018
local terms energy: -47.115429
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -8.833
flat angles P-C4'-P energy: -4.963
tors. eta vs tors. theta energy: -5.497
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: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -85.576019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.576019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.576019 (E_RNA)
where:
Base-Base interactions energy: -34.899
where: short stacking energy: -32.805
Base-Backbone interact. energy: -0.018
local terms energy: -50.658832
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -218.852119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.852119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.852119 (E_RNA)
where:
Base-Base interactions energy: -148.199
where: short stacking energy: -77.514
Base-Backbone interact. energy: -0.000
local terms energy: -70.653257
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -234.650091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.650091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.650091 (E_RNA)
where:
Base-Base interactions energy: -149.978
where: short stacking energy: -73.839
Base-Backbone interact. energy: -0.043
local terms energy: -84.628629
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -227.126380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.126380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.126380 (E_RNA)
where:
Base-Base interactions energy: -152.998
where: short stacking energy: -75.719
Base-Backbone interact. energy: -0.779
local terms energy: -73.349373
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -22.711
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: 10
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -219.997525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.997525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.997525 (E_RNA)
where:
Base-Base interactions energy: -142.479
where: short stacking energy: -72.033
Base-Backbone interact. energy: -0.003
local terms energy: -77.514659
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -11.062
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: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -203.079555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.079555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.079555 (E_RNA)
where:
Base-Base interactions energy: -130.973
where: short stacking energy: -68.923
Base-Backbone interact. energy: -0.118
local terms energy: -71.988171
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -196.934498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.934498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.934498 (E_RNA)
where:
Base-Base interactions energy: -126.922
where: short stacking energy: -68.459
Base-Backbone interact. energy: -0.033
local terms energy: -69.980114
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -20.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -181.654786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.654786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.654786 (E_RNA)
where:
Base-Base interactions energy: -116.978
where: short stacking energy: -66.013
Base-Backbone interact. energy: -0.001
local terms energy: -64.675671
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -174.779988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.779988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.779988 (E_RNA)
where:
Base-Base interactions energy: -110.172
where: short stacking energy: -56.745
Base-Backbone interact. energy: -0.077
local terms energy: -64.531240
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -16.001
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: 9, replica: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -99.764742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.764742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.764742 (E_RNA)
where:
Base-Base interactions energy: -45.484
where: short stacking energy: -45.484
Base-Backbone interact. energy: 1.370
local terms energy: -55.650434
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -83.793413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.793413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.793413 (E_RNA)
where:
Base-Base interactions energy: -30.136
where: short stacking energy: -30.136
Base-Backbone interact. energy: 1.415
local terms energy: -55.072525
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -5.723
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: 493
Temperature: 0.900000
Total energy: -229.879566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.879566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.879566 (E_RNA)
where:
Base-Base interactions energy: -149.420
where: short stacking energy: -75.484
Base-Backbone interact. energy: -1.207
local terms energy: -79.252505
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -236.034470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.034470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.034470 (E_RNA)
where:
Base-Base interactions energy: -157.644
where: short stacking energy: -76.158
Base-Backbone interact. energy: -0.001
local terms energy: -78.390258
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -22.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -228.943472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.943472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.943472 (E_RNA)
where:
Base-Base interactions energy: -151.683
where: short stacking energy: -77.339
Base-Backbone interact. energy: -0.279
local terms energy: -76.980974
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -11.317
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: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -210.472944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.472944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.472944 (E_RNA)
where:
Base-Base interactions energy: -135.991
where: short stacking energy: -69.608
Base-Backbone interact. energy: -0.003
local terms energy: -74.478879
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -16.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -177.972133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.972133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.972133 (E_RNA)
where:
Base-Base interactions energy: -117.282
where: short stacking energy: -68.172
Base-Backbone interact. energy: 1.768
local terms energy: -62.457382
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -13.254
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: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -192.003112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.003112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.003112 (E_RNA)
where:
Base-Base interactions energy: -127.806
where: short stacking energy: -68.832
Base-Backbone interact. energy: -0.853
local terms energy: -63.344227
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -184.995115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.995115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.995115 (E_RNA)
where:
Base-Base interactions energy: -116.081
where: short stacking energy: -57.585
Base-Backbone interact. energy: -0.107
local terms energy: -68.807790
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -14.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -177.281698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.281698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.281698 (E_RNA)
where:
Base-Base interactions energy: -113.666
where: short stacking energy: -58.051
Base-Backbone interact. energy: -0.115
local terms energy: -63.500907
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -15.279
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: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -93.302429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.302429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.302429 (E_RNA)
where:
Base-Base interactions energy: -35.786
where: short stacking energy: -35.786
Base-Backbone interact. energy: -0.051
local terms energy: -57.465994
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -9.190
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: 10, replica: 3
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -112.526632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.526632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.526632 (E_RNA)
where:
Base-Base interactions energy: -69.160
where: short stacking energy: -32.035
Base-Backbone interact. energy: -0.564
local terms energy: -42.803037
where:
bonds (distance) C4'-P energy: -5.664
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: 0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -230.682840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.682840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.682840 (E_RNA)
where:
Base-Base interactions energy: -149.059
where: short stacking energy: -77.972
Base-Backbone interact. energy: -1.520
local terms energy: -80.103477
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -22.280
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: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -229.110920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.110920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.110920 (E_RNA)
where:
Base-Base interactions energy: -147.694
where: short stacking energy: -75.160
Base-Backbone interact. energy: -0.013
local terms energy: -81.403903
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -20.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -235.872501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.872501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.872501 (E_RNA)
where:
Base-Base interactions energy: -153.294
where: short stacking energy: -83.331
Base-Backbone interact. energy: -0.699
local terms energy: -81.879986
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -226.998246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.998246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.998246 (E_RNA)
where:
Base-Base interactions energy: -154.928
where: short stacking energy: -81.481
Base-Backbone interact. energy: -0.268
local terms energy: -71.802813
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -216.582808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.582808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.582808 (E_RNA)
where:
Base-Base interactions energy: -142.145
where: short stacking energy: -72.426
Base-Backbone interact. energy: -0.383
local terms energy: -74.054246
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -10.410
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: 6, replica: 7
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -168.763931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.763931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.763931 (E_RNA)
where:
Base-Base interactions energy: -108.483
where: short stacking energy: -59.595
Base-Backbone interact. energy: -0.150
local terms energy: -60.130316
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -12.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -177.714186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.714186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.714186 (E_RNA)
where:
Base-Base interactions energy: -120.696
where: short stacking energy: -56.814
Base-Backbone interact. energy: -0.067
local terms energy: -56.950564
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -12.131
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: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -182.498115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.498115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.498115 (E_RNA)
where:
Base-Base interactions energy: -118.148
where: short stacking energy: -58.077
Base-Backbone interact. energy: -1.176
local terms energy: -63.174558
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -16.631
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: 3
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -90.547844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.547844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.547844 (E_RNA)
where:
Base-Base interactions energy: -40.682
where: short stacking energy: -37.407
Base-Backbone interact. energy: -0.893
local terms energy: -48.972065
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -90.059454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.059454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.059454 (E_RNA)
where:
Base-Base interactions energy: -40.768
where: short stacking energy: -40.768
Base-Backbone interact. energy: -0.133
local terms energy: -49.157893
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -9.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -227.120286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.120286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.120286 (E_RNA)
where:
Base-Base interactions energy: -145.298
where: short stacking energy: -74.528
Base-Backbone interact. energy: -0.007
local terms energy: -81.814867
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -21.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -233.365400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.365400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.365400 (E_RNA)
where:
Base-Base interactions energy: -154.397
where: short stacking energy: -70.185
Base-Backbone interact. energy: 0.146
local terms energy: -79.114295
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -18.643
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: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -228.249848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.249848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.249848 (E_RNA)
where:
Base-Base interactions energy: -148.974
where: short stacking energy: -78.407
Base-Backbone interact. energy: -0.044
local terms energy: -79.232200
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -20.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -228.772840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.772840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.772840 (E_RNA)
where:
Base-Base interactions energy: -152.616
where: short stacking energy: -83.093
Base-Backbone interact. energy: -0.843
local terms energy: -75.313816
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -187.652080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.652080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.652080 (E_RNA)
where:
Base-Base interactions energy: -119.225
where: short stacking energy: -50.914
Base-Backbone interact. energy: -0.089
local terms energy: -68.338165
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -183.170475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.170475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.170475 (E_RNA)
where:
Base-Base interactions energy: -114.327
where: short stacking energy: -60.933
Base-Backbone interact. energy: -0.132
local terms energy: -68.712150
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -14.681
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: 7
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -195.425716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.425716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.425716 (E_RNA)
where:
Base-Base interactions energy: -135.256
where: short stacking energy: -68.550
Base-Backbone interact. energy: 0.870
local terms energy: -61.039384
where:
bonds (distance) C4'-P energy: -3.252
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -175.143753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.143753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.143753 (E_RNA)
where:
Base-Base interactions energy: -119.786
where: short stacking energy: -55.914
Base-Backbone interact. energy: -0.003
local terms energy: -55.354870
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -8.081
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -12.733
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: 9, replica: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -89.551280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.551280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.551280 (E_RNA)
where:
Base-Base interactions energy: -34.401
where: short stacking energy: -34.401
Base-Backbone interact. energy: -0.354
local terms energy: -54.796832
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -89.759125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.759125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.759125 (E_RNA)
where:
Base-Base interactions energy: -39.139
where: short stacking energy: -21.353
Base-Backbone interact. energy: -0.292
local terms energy: -50.327888
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -7.520
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -237.013844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.013844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.013844 (E_RNA)
where:
Base-Base interactions energy: -157.966
where: short stacking energy: -78.161
Base-Backbone interact. energy: -0.001
local terms energy: -79.046737
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -23.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -225.972853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.972853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.972853 (E_RNA)
where:
Base-Base interactions energy: -146.558
where: short stacking energy: -68.684
Base-Backbone interact. energy: -0.062
local terms energy: -79.353197
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -226.926195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.926195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.926195 (E_RNA)
where:
Base-Base interactions energy: -151.816
where: short stacking energy: -79.290
Base-Backbone interact. energy: 0.899
local terms energy: -76.009789
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -186.938948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.938948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.938948 (E_RNA)
where:
Base-Base interactions energy: -120.069
where: short stacking energy: -60.993
Base-Backbone interact. energy: -1.690
local terms energy: -65.179527
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -7.096
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: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -183.205911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.205911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.205911 (E_RNA)
where:
Base-Base interactions energy: -119.663
where: short stacking energy: -69.021
Base-Backbone interact. energy: -0.385
local terms energy: -63.157446
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -191.719287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.719287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.719287 (E_RNA)
where:
Base-Base interactions energy: -126.046
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.271
local terms energy: -65.402301
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -14.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -185.499794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.499794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.499794 (E_RNA)
where:
Base-Base interactions energy: -118.134
where: short stacking energy: -59.506
Base-Backbone interact. energy: -0.124
local terms energy: -67.241596
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -15.087
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: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -184.887394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.887394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.887394 (E_RNA)
where:
Base-Base interactions energy: -116.704
where: short stacking energy: -51.072
Base-Backbone interact. energy: -0.914
local terms energy: -67.269991
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -13.351
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: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -85.404607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.404607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.404607 (E_RNA)
where:
Base-Base interactions energy: -44.689
where: short stacking energy: -31.961
Base-Backbone interact. energy: -0.417
local terms energy: -40.298727
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -8.139
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -4.522
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: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -94.487581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.487581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.487581 (E_RNA)
where:
Base-Base interactions energy: -40.889
where: short stacking energy: -38.698
Base-Backbone interact. energy: -0.019
local terms energy: -53.579646
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -10.085
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -235.857594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.857594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.857594 (E_RNA)
where:
Base-Base interactions energy: -149.491
where: short stacking energy: -76.097
Base-Backbone interact. energy: -0.002
local terms energy: -86.364317
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -22.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -232.393513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.393513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.393513 (E_RNA)
where:
Base-Base interactions energy: -156.107
where: short stacking energy: -80.683
Base-Backbone interact. energy: -0.002
local terms energy: -76.284989
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -23.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -209.357556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.357556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.357556 (E_RNA)
where:
Base-Base interactions energy: -141.632
where: short stacking energy: -61.707
Base-Backbone interact. energy: -0.445
local terms energy: -67.281031
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -6.756
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: 4, replica: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -192.275540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.275540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.275540 (E_RNA)
where:
Base-Base interactions energy: -123.481
where: short stacking energy: -65.793
Base-Backbone interact. energy: -0.192
local terms energy: -68.602299
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -10.078
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: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -184.678642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.678642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.678642 (E_RNA)
where:
Base-Base interactions energy: -125.885
where: short stacking energy: -57.761
Base-Backbone interact. energy: 1.198
local terms energy: -59.991758
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -193.164103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.164103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.164103 (E_RNA)
where:
Base-Base interactions energy: -130.243
where: short stacking energy: -64.978
Base-Backbone interact. energy: 0.101
local terms energy: -63.022303
where:
bonds (distance) C4'-P energy: -7.215
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -196.392657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.392657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.392657 (E_RNA)
where:
Base-Base interactions energy: -129.814
where: short stacking energy: -57.048
Base-Backbone interact. energy: -0.090
local terms energy: -66.488152
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -16.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -170.590301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.590301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.590301 (E_RNA)
where:
Base-Base interactions energy: -110.155
where: short stacking energy: -59.644
Base-Backbone interact. energy: -0.021
local terms energy: -60.414152
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -107.635108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.635108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.635108 (E_RNA)
where:
Base-Base interactions energy: -47.834
where: short stacking energy: -47.834
Base-Backbone interact. energy: 0.001
local terms energy: -59.801841
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -9.221
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: 497
Temperature: 1.350000
Total energy: -92.612901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.612901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.612901 (E_RNA)
where:
Base-Base interactions energy: -40.201
where: short stacking energy: -28.040
Base-Backbone interact. energy: -0.299
local terms energy: -52.113117
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -8.176
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: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -239.105209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.105209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.105209 (E_RNA)
where:
Base-Base interactions energy: -157.295
where: short stacking energy: -79.492
Base-Backbone interact. energy: -0.003
local terms energy: -81.807261
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -11.504
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: 2, replica: 8
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -233.696738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.696738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.696738 (E_RNA)
where:
Base-Base interactions energy: -156.750
where: short stacking energy: -77.636
Base-Backbone interact. energy: 0.027
local terms energy: -76.973292
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -9.106
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: 3, replica: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -222.280293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.280293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.280293 (E_RNA)
where:
Base-Base interactions energy: -143.351
where: short stacking energy: -71.070
Base-Backbone interact. energy: -0.028
local terms energy: -78.901366
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -201.116809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.116809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.116809 (E_RNA)
where:
Base-Base interactions energy: -129.732
where: short stacking energy: -63.639
Base-Backbone interact. energy: 0.785
local terms energy: -72.169656
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -209.300285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.300285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.300285 (E_RNA)
where:
Base-Base interactions energy: -143.216
where: short stacking energy: -68.772
Base-Backbone interact. energy: -0.070
local terms energy: -66.014509
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -177.887275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.887275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.887275 (E_RNA)
where:
Base-Base interactions energy: -117.866
where: short stacking energy: -59.951
Base-Backbone interact. energy: -0.031
local terms energy: -59.990320
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -3.061
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -185.083293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.083293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.083293 (E_RNA)
where:
Base-Base interactions energy: -113.922
where: short stacking energy: -59.898
Base-Backbone interact. energy: 0.256
local terms energy: -71.417568
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -13.827
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: 2
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -190.802268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.802268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.802268 (E_RNA)
where:
Base-Base interactions energy: -124.431
where: short stacking energy: -64.824
Base-Backbone interact. energy: -0.881
local terms energy: -65.489488
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -9.530
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -92.225010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.225010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.225010 (E_RNA)
where:
Base-Base interactions energy: -45.379
where: short stacking energy: -33.877
Base-Backbone interact. energy: -0.097
local terms energy: -46.749111
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -88.991010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.991010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.991010 (E_RNA)
where:
Base-Base interactions energy: -34.639
where: short stacking energy: -34.639
Base-Backbone interact. energy: 0.266
local terms energy: -54.618313
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -239.080416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.080416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.080416 (E_RNA)
where:
Base-Base interactions energy: -160.627
where: short stacking energy: -84.299
Base-Backbone interact. energy: -0.043
local terms energy: -78.409580
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -21.166
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: 5
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -216.231202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.231202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.231202 (E_RNA)
where:
Base-Base interactions energy: -138.734
where: short stacking energy: -68.255
Base-Backbone interact. energy: -0.012
local terms energy: -77.484980
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -232.930690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.930690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.930690 (E_RNA)
where:
Base-Base interactions energy: -149.927
where: short stacking energy: -78.457
Base-Backbone interact. energy: -0.004
local terms energy: -82.999883
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -23.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -219.027292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.027292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.027292 (E_RNA)
where:
Base-Base interactions energy: -145.825
where: short stacking energy: -78.662
Base-Backbone interact. energy: -0.014
local terms energy: -73.187349
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -191.838576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.838576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.838576 (E_RNA)
where:
Base-Base interactions energy: -123.317
where: short stacking energy: -59.071
Base-Backbone interact. energy: -0.096
local terms energy: -68.425615
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -201.719912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.719912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.719912 (E_RNA)
where:
Base-Base interactions energy: -129.590
where: short stacking energy: -71.493
Base-Backbone interact. energy: -1.702
local terms energy: -70.427842
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -9.615
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -20.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -179.198296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.198296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.198296 (E_RNA)
where:
Base-Base interactions energy: -111.874
where: short stacking energy: -64.865
Base-Backbone interact. energy: -0.282
local terms energy: -67.042621
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -185.797611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.797611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.797611 (E_RNA)
where:
Base-Base interactions energy: -117.952
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.004
local terms energy: -67.840938
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -16.120
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: 3
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -90.598369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.598369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.598369 (E_RNA)
where:
Base-Base interactions energy: -40.205
where: short stacking energy: -19.695
Base-Backbone interact. energy: -0.251
local terms energy: -50.142329
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -7.167
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: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -84.438377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.438377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.438377 (E_RNA)
where:
Base-Base interactions energy: -37.905
where: short stacking energy: -37.905
Base-Backbone interact. energy: -0.012
local terms energy: -46.521129
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -7.466
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: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -239.579569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.579569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.579569 (E_RNA)
where:
Base-Base interactions energy: -154.651
where: short stacking energy: -84.087
Base-Backbone interact. energy: -0.111
local terms energy: -84.817330
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -23.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -215.762558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.762558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.762558 (E_RNA)
where:
Base-Base interactions energy: -142.369
where: short stacking energy: -67.399
Base-Backbone interact. energy: -0.189
local terms energy: -73.204377
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -21.140
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: 3, replica: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -213.575097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.575097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.575097 (E_RNA)
where:
Base-Base interactions energy: -142.794
where: short stacking energy: -71.580
Base-Backbone interact. energy: -0.230
local terms energy: -70.551846
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -221.413417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.413417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.413417 (E_RNA)
where:
Base-Base interactions energy: -153.760
where: short stacking energy: -82.135
Base-Backbone interact. energy: -0.041
local terms energy: -67.611970
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -9.741
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -20.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -199.231629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.231629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.231629 (E_RNA)
where:
Base-Base interactions energy: -126.165
where: short stacking energy: -64.529
Base-Backbone interact. energy: -0.000
local terms energy: -73.066565
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -15.893
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: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -189.041021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.041021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.041021 (E_RNA)
where:
Base-Base interactions energy: -124.551
where: short stacking energy: -60.808
Base-Backbone interact. energy: -0.065
local terms energy: -64.425691
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -12.936
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: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -191.545266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.545266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.545266 (E_RNA)
where:
Base-Base interactions energy: -126.011
where: short stacking energy: -61.935
Base-Backbone interact. energy: -0.044
local terms energy: -65.490300
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -18.203
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: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -182.929518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.929518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.929518 (E_RNA)
where:
Base-Base interactions energy: -122.127
where: short stacking energy: -57.040
Base-Backbone interact. energy: -0.097
local terms energy: -60.705593
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -2.815
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -96.139008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.139008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.139008 (E_RNA)
where:
Base-Base interactions energy: -41.722
where: short stacking energy: -42.022
Base-Backbone interact. energy: -0.134
local terms energy: -54.282498
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -88.691634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.691634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.691634 (E_RNA)
where:
Base-Base interactions energy: -35.143
where: short stacking energy: -27.279
Base-Backbone interact. energy: -0.229
local terms energy: -53.319579
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -243.280659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.280659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.280659 (E_RNA)
where:
Base-Base interactions energy: -160.589
where: short stacking energy: -83.109
Base-Backbone interact. energy: -0.282
local terms energy: -82.410028
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -24.161
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: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -220.220048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.220048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.220048 (E_RNA)
where:
Base-Base interactions energy: -149.180
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.004
local terms energy: -71.035354
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -19.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -211.470803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.470803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.470803 (E_RNA)
where:
Base-Base interactions energy: -137.966
where: short stacking energy: -69.120
Base-Backbone interact. energy: -0.001
local terms energy: -73.504119
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -17.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -231.063351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.063351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.063351 (E_RNA)
where:
Base-Base interactions energy: -152.206
where: short stacking energy: -71.723
Base-Backbone interact. energy: -0.384
local terms energy: -78.473284
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -192.307978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.307978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.307978 (E_RNA)
where:
Base-Base interactions energy: -130.544
where: short stacking energy: -57.665
Base-Backbone interact. energy: -0.150
local terms energy: -61.614230
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -7.292
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: 6, replica: 9
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -195.504011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.504011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.504011 (E_RNA)
where:
Base-Base interactions energy: -127.928
where: short stacking energy: -71.251
Base-Backbone interact. energy: -0.029
local terms energy: -67.546876
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -9.211
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: 7, replica: 2
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -176.166576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.166576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.166576 (E_RNA)
where:
Base-Base interactions energy: -116.221
where: short stacking energy: -62.014
Base-Backbone interact. energy: 2.454
local terms energy: -62.398872
where:
bonds (distance) C4'-P energy: -9.020
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -12.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -183.573862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.573862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.573862 (E_RNA)
where:
Base-Base interactions energy: -115.699
where: short stacking energy: -56.163
Base-Backbone interact. energy: -0.104
local terms energy: -67.771758
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -15.033
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: 501
Temperature: 1.300000
Total energy: -106.720438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.720438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.720438 (E_RNA)
where:
Base-Base interactions energy: -50.951
where: short stacking energy: -40.618
Base-Backbone interact. energy: -0.765
local terms energy: -55.004492
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -10.335
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -86.952628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.952628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.952628 (E_RNA)
where:
Base-Base interactions energy: -38.139
where: short stacking energy: -31.286
Base-Backbone interact. energy: -0.638
local terms energy: -48.176366
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 4 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 12014338
moves confirmed later: 13628629
all moves confirmed: 25642967
percent of confirmed moves: 3.205371
current total energy: -205.863073
recalc. total energy: -205.863073
replica 5 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 15806687
moves confirmed later: 18691810
all moves confirmed: 34498497
percent of confirmed moves: 4.312312
current total energy: -162.546103
recalc. total energy: -162.546103
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 14574842
moves confirmed later: 17055491
all moves confirmed: 31630333
percent of confirmed moves: 3.953792
current total energy: -186.091530
recalc. total energy: -186.091530
replica 7 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 13770294
moves confirmed later: 15887741
all moves confirmed: 29658035
percent of confirmed moves: 3.707254
current total energy: -194.359336
recalc. total energy: -194.359336
replica 9 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 17585902
moves confirmed later: 21057938
all moves confirmed: 38643840
percent of confirmed moves: 4.830480
current total energy: -158.417550
recalc. total energy: -158.417550
replica 10 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 14766482
moves confirmed later: 17330876
all moves confirmed: 32097358
percent of confirmed moves: 4.012170
current total energy: -153.589280
recalc. total energy: -153.589280
replica 1 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 15493802
moves confirmed later: 18254345
all moves confirmed: 33748147
percent of confirmed moves: 4.218518
current total energy: -104.193982
recalc. total energy: -104.193982
replica 2 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 13934935
moves confirmed later: 16183533
all moves confirmed: 30118468
percent of confirmed moves: 3.764809
current total energy: -113.991740
recalc. total energy: -113.991740
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 22869781
moves confirmed later: 27958048
all moves confirmed: 50827829
percent of confirmed moves: 6.353479
current total energy: -56.901562
recalc. total energy: -56.901562
replica 3 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 16953512
moves confirmed later: 20208602
all moves confirmed: 37162114
percent of confirmed moves: 4.645264
current total energy: -33.501483
recalc. total energy: -33.501483
out arg RESULTS//1/D3-1796be5c_01
Time of doing 8000000 iterations: 3299.278 seconds